PATENT CLAIM ANALYSIS

Application Number: 15922376
Application Type: Utility
Filing Date: 2018-03
Publication Date: 2018-09
Patent Classification: ["514", "064000"]

Abstract:
Described herein are compounds and compositions that modulate the activity of beta-lactamases. In some embodiments, the compounds described herein inhibit beta-lactamase. In certain embodiments, the compounds described herein are useful in the treatment of bacterial infections.

Claim (Index 43):
A compound of Formula (I) or Formula (Ia), a pharmaceutically acceptable salt, polymorph, solvate, prodrug, N-oxide, or stereoisomer thereof: wherein:\n M is a bond, \u2014O\u2014, \u2014S\u2014, \u2014S(O)\u2014, SO 2 \u2014, or \u2014N(R 4 )\u2014; \n m is 0, 1, or 2;\n provided that when HetA is attached to (CR 1 R 2 ) m  through a ring nitrogen atom, m=0 or 2. \n \n n is 0, 1, 2, or 3; \n provided that\n when n is 0, then M is a bond; \n \n p is 1, 2, 3 or 4; \n X 1  and X 2  are independently selected from \u2014OH, \u2014OR 8 , or F; \n Z is >C\u2550O, >C\u2550S, or >SO 2 ; \n HetA is an optionally substituted non-aromatic heterocyclic ring system; \n each Y, when not attached directly to a heteroatom of HetA, is selected from the group consisting of:\n fluoro, chloro, bromo, \u2014CN, optionally substituted C 1 -C 6  alkyl, optionally substituted C 3 -C 6  cycloalkyl, optionally substituted heterocycle, optionally substituted aryl, optionally substituted \n heteroaryl, \u2014OH, \u2014OR 10 , \u2014SR 10 , \u2014NR 4 R 5 , \u2014(CR 6 R 7 ) v NR 4 R 5 , \u2014NR 4 (CR 6 R 7 ) v NR 4 R 5 , \u2014O(CR 6 R 7 ) v NR 4 R 5 , \u2014S(O) 0,1,2 (CR 6 R 7 ) v NR 4 R 5 , \u2014N(R 4 )C(O)(CR 6 R 7 ) v NR 4 R 5 , \u2014(CR 6 R 7 ) v N(R 4 )C(O)(C R 6 R 7 ) v NR 4 R 5 , \u2014(CR 6 R 7 ) v NR 4 (CR 6 R 7 ) v NR 4 R 5 , \u2014NR 4  (CR 6 R 7 ) v OR 10 , \u2014NR 4 (CR 6 R 7 ) v S(O) 0,1,2 R 10 , \u2014C(O)NR 4 (CR 6 R 7 ) v NR 4 R 5 , \u2014S(O) 0,1,2 NR 4 (CR 6 R 7 ) v NR 4 R 5 , \u2014NR 5 C(O)NR 4 (CR 6 R 7 ) v NR 4 R 5 , \u2014OC(O)NR 4 (CR 6 R 7 ) v NR 4 R 5 , \u2014NR 5 C(\u2550NR 7 )NR 4 (CR 6 R 7 ) v NR 4 R 5 , \u2014N(R 4 )C(\u2550NR 5 )R 6 , \u2014(CR 6 R 7 ) v N(R 4 )C(\u2550NR 5 )R 6 , \u2014NR 4 (CR 6 R 7 ) v N(R 4 )C(\u2550NR 5 )R 6 , \u2014O(CR 6 R 7 ) v N(R 4 )C(\u2550NR 5 ) R 6 , \u2014S(O) 0,1,2 (CR 6 R 7 ) v N(R 4 )C(\u2550NR 5 )R 6 , \u2014(CR 6 R 7 ) v C(\u2550NR 5 )NR 4 R 5 , \u2014NR 4 (CR 6 R 7 ) v C(\u2550NR 5 )NR 4 R 5 , \u2014O(CR 6 R 7 ) v C(\u2550NR 5 )NR 4 R 5 , \u2014S(O) 0,1,2 (CR 6 R 7 ) v C(\u2550NR 5 )NR 4 R 5 , \u2014(CR 6 R 7 ) v N(R 4 ) C(\u2550NR 5 )NR 4 R 5 , \u2014NR 4 (CR 6 R 7 ) v N(R 4 )C(\u2550NR 5 )NR 4 R 5 , \u2014O(CR 6 R 7 ) v N(R 4 )C(\u2550NR 5 )NR 4 R 5 , \u2014S(O) 0,1,2 (CR 6 R 7 ) v N(R 4 )C(\u2550NR 5 )NR 4 R 5 , \u2014NR 4 C(\u2550NR 5 )NR 4 C(\u2550NR 5 )NR 4 R 5 , \u2014(CR 6 R 7 ) v C(\u2550NR 4 )NR 5 C(\u2550NR 4 )NR 4 R 5 , \u2014NR 4 (CR 6 R 7 ) v C(\u2550NR 4 )NR 5 C(\u2550NR 4 )NR 4 R 5 , \u2014O(CR 6 R 7 ) v C(\u2550NR 4 )NR 5 C(\u2550NR 4 )NR 4 R 5 , \u2014S(O) 0,1,2 \u2014(CR 6 R 7 ) v C(\u2550NR 4 )NR 5 C(\u2550NR 4 )NR 4 R 5 , \u2014NR 4 C(\u2550NR 5 )NR 4 R 5 , \u2014C(\u2550NR 4 )NR 4 R 5 , \u2014C(\u2550NR 4 )NR 4 C(O)R 6 , \u2014NR 4 SO 2 R 6 , \u2014NR 4 C(O)R 6 , \u2014NR 4 C(\u2550O) OR 6 , \u2014C(O)NR 4 R 5 , \u2014(CR 6 R 7 ) v C(O)NR 4 R 5 , \u2014SO 2 NR 4 R 5 , -Heteroaryl-NR 4 R 5 , -Heterocyclyl-NR 4 R 5 , -Heteroaryl-N(R 4 )C(\u2550NR 5 )NR 4 R 5 , -Heterocyclyl-N(R 4 )C(\u2550NR 5 )NR 4 R 5 , \u2014N(R 4 )\u2014Heteroaryl-NR 4 R 5 , \u2014N(R 4 )-Heterocyclyl-NR 4 R 5 , \u2014(CR 6 R 7 ) v Heteroaryl-NR 4 R 5 , \u2014(CR 6 R 7 ) v Heterocyclyl-NR 4 R 5 , \u2014(CR 6 R 7 ) v Heteroaryl-N(R 4 )C(\u2550NR 5 )NR 4 R 5 , \u2014(CR 6 R 7 ) v Heterocyclyl-N(R 4 )C(\u2550NR 5 )NR 4 R 5 , \u2014(CR 6 R 7 ) v Heteroaryl, \u2014(CR 6 R 7 ) v Heterocyclyl, \u2014O-Heteroaryl, \u2014O-Heterocyclyl, \u2014NR 4 (CR 6 R 7 ) v Heteroaryl, \u2014NR 4 (CR 6 R 7 ) v Heterocyclyl, \u2014O(CR 6 R 7 ) v Heteroaryl, \u2014O(CR 6 R 7 ) v Heterocyclyl, \u2014NR 4 (CR 6 R 7 ) v NR 5 -Heteroaryl, \u2014NR 4 (CR 6 R 7 ) v NR 5 -Heterocyclyl, \u2014O(CR 6 R 7 ) v NR 5 -Heteroaryl, \u2014O(CR 6 R 7 ) v NR 5 -Heterocyclyl, \u2014O(CR 6 R 7 ) v O-Heterocyclyl, \u2014NR 4 R 5 R 9+ Q \u2212 , \u2014(CR 6 R 7 ) v NR 4 R 5 R 9+ Q \u2212 , \u2014NR 4 (CR 6 R 7 ) v NR 4 R 5 R 9+ Q \u2212 , \u2014NR 4 R 9+ (CR 6 R 7 ) v  NR 4 R 5 R 9+ Q \u2212 2 , \u2014(CR 6 R 7 ) v (T) + Q \u2212 , and \u2014O(CR 6 R 7 ) v NR 4 R 5 R 9+ Q \u2212 ; \n wherein:\n T is pyridine-1-yl, pyrimidin-1-yl, or thiazol-3-yl; \n Q is a pharmaceutically acceptable counterion; and \n v is 1-4; \n \n or two Ys taken together with the carbon atoms to which they are attached form an optionally substituted carbocycle, an optionally substituted heterocycle, or a carbonyl group; or \n each Y, when attached directly to a heteroatom of HetA, is selected from the group consisting of:\n \u2014(CR 6 R 7 ) v NR 4 R 5 , \u2014S(O) 1,2 (CR 6 R 7 ) v NR 4 R 5 , \u2014C(O)(CR 6 R 7 ) v NR 4 R 5 , \u2014(CR 6 R 7 ) w N(R 4 )C(O)(CR 6 R 7 ) v NR 4 R 5 , \u2014(CR 6 R 7 ) w NR 4 (CR 6 R 7 ) w NR 4 R 5 , \u2014NR 4 (CR 6 R 7 w OR 10 , \u2014(CR 6 R 7 ) w S(O) 0,1,2 R 10 , \u2014C(O)NR 4  (CR 6 R 7 ) w NR 4 R 5 , \u2014S(O) 1,2 NR 4 (CR 6 R 7 ) w NR 4 R 5 , \u2014C(\u2550NR 7 )NR 4 (C R 6 R 7 ) v NR 4 R 5 , \u2014C(\u2550NR 5 )R 6 , \u2014(CR 6 R 7 ) w N(R 4 )C(\u2550NR 5 )R 6 , \u2014S(O) 1,2 (CR 6 R 7 ) v N(R 4 )C(\u2550NR 5 )R 6 , \u2014(CR 6 R 7 ) v C(\u2550NR 5 )NR 4 R 5 , \u2014(CR 6 R 7 ) w C(\u2550NR 5 )NR 4 R 5 , \u2014S(O) 1,2 (CR 6 R 7 ) v C(\u2550NR 5 )NR 4 R 5 , \u2014(CR 6 R 7 ) w N(R 4 )C(\u2550NR 5 )NR 4 R 5 , \u2014S(O) 1,2 (CR 6 R 7 ) v N(R 4 )C(\u2550NR 5 )NR 4 R 5 , \u2014C(\u2550NR 5 )NR 4 C(\u2550NR 5 )NR 4 R 5 , \u2014(CR 6 R 7 ) v C(\u2550NR 4 )NR 5 C(\u2550NR 4 )NR 4 R 5 , \u2014S(O) 1,2 \u2014(CR 6 R 7 ) v C(\u2550NR 4 )NR 5 C(\u2550NR 4 )NR 4 R 5 , \u2014C(\u2550NR 4 )NR 4 R 5 , \u2014C(\u2550NR 4 )NR 4 C(O)R 6 , \u2014SO 2 R 6 , \u2014C(\u2550O)OR 6 , \u2014C(O)NR 4 R 5 , \u2014(CR 6 R 7 ) v C(O)NR 4 R 5 , \u2014SO 2 NR 4 R 5 , -aryl, -heteroaryl, \u2014C(O)N(R 4 )-Heteroaryl-NR 4 R 5 , -Heteroaryl-NR 4 R 5 , -Heterocyclyl-NR 4 R 5 , -Heteroaryl-N(R 4 ) C(\u2550NR 5 )NR 4 R 5 , -Heterocyclyl-N(R 4 )C(\u2550NR 5 )NR 4 R 5 , -Heteroaryl-NR 4 R 5 , -Heterocyclyl-NR 4 R 5 , \u2014(CR 6 R 7 ) v Heteroaryl-NR 4 R 5 , \u2014(CR 6 R 7 ) v Heterocyclyl-NR 4 R 5 , \u2014(CR 6 R 7 ) v Heteroaryl-N(R 4 )C(\u2550NR 5 )NR 4 R 5 , \u2014(CR 6 R 7 ) v Heterocyclyl-N(R 4 )C(\u2550NR 5 )NR 4 R 5 , \u2014(CR 6 R 7 ) v Heteroaryl, \u2014(CR 6 R 7 ) v Heterocyclyl, \u2014(CR 6 R 7 ) v NR 5 -Heteroaryl, \u2014(CR 6 R 7 ) v NR 5 -Heterocyclyl, \u2014(CR 6 R 7 ) v O-Heterocyclyl, \u2014R 9+ Q \u2212 , \u2014(CR 6 R 7 ) w NR 4 R 5 R 9+ Q \u2212 , \u2014R 9+ (CR 6 R 7 ) v NR 4 R 5 R 9+ Q \u2212 2  and \u2014(CR 6 R 7 ) v (T) + Q; \n \n wherein:\n T is pyridine-1-yl, pyrimidin-1-yl, or thiazol-3-yl; \n Q is a pharmaceutically acceptable counterion; and \n v is 1-4; w is 2-4; \n \n \n R a , R b , and R c  are independently selected from the group consisting of hydrogen, fluoro, chloro, bromo, optionally substituted C 1 -C 6  alkyl, optionally substituted C 3 -C 6  cycloalkyl, optionally substituted heterocyclyl, optionally substituted aryl, optionally substituted heteroaryl, \u2014OH, \u2014OR 10 \u2014NR 4 R 5 , and \u2014SR 10 ; \n R 1  and R 2  are independently selected from the group consisting of hydrogen, fluoro, chloro, bromo, optionally substituted C 1 -C 6  alkyl, optionally substituted C 3 -C 6  cycloalkyl, \u2014OH, \u2014OR 10 , \u2014SR 10 , and \u2014NR 4 R 5 ,\n or R 1  and R 2  taken together form an oxo, oxime, or an optionally substituted carbocycle or optionally substituted heterocycle with the carbon to which they are attached; \n \n R 3  is hydrogen, optionally substituted C 1 -C 6  alkyl, or a pharmaceutically acceptable prodrug; \n R d , R 4  and R 5  are independently selected from the group consisting of hydrogen, \u2014OH, \u2014CN, optionally substituted C 1 -C 6  alkyl, optionally substituted alkoxyalkyl, optionally substituted hydroxyalkyl, optionally substituted aminoalkyl, optionally substituted cycloalkyl, optionally substituted heterocyclyl, optionally substituted aryl, optionally substituted heteroaryl, optionally substituted cycloalkylalkyl, optionally substituted heterocyclylalkyl, optionally substituted aralkyl, optionally substituted heteroaralkyl, (poly-ethylene-glycol)-ethyl, and an optionally substituted saccharide;\n or R 4  and R 5  taken together form an optionally substituted heterocycle with the nitrogen to which they are attached; \n \n R 6  and R 7  are independently selected from the group consisting of hydrogen, fluoro, chloro, bromo, optionally substituted C 1 -C 6  alkyl, optionally substituted alkoxyalkyl, optionally substituted hydroxyalkyl, optionally substituted C 3 -C 6  cycloalkyl, \u2014OH, \u2014OR 10 , \u2014SR 10 , \u2014NR 4 R 5 , \u2014NR 4 C(O)R 5 , \u2014C(O)NR 4 R 5 , \u2014NR 4 SO 2 R 5 ,\n optionally substituted heterocyclyl, optionally substituted aryl, and optionally substituted heteroaryl; \n or R 6  and R 7  taken together form an oxo, oxime, or an optionally substituted carbocycle or an optionally substituted heterocycle with the carbon to which they are attached; \n \n R 8  is optionally substituted C 1 -C 6  alkyl, optionally substituted C 3 -C 6  cycloalkyl, or a pharmaceutically acceptable boronate ester group; \n R 9  is optionally substituted C 1 -C 6  alkyl; and \n R 10  is optionally substituted C 1 -C 6  alkyl or optionally substituted C 3 -C 6  cycloalkyl.

Metadata:
- Claim Count in Document: 23.0
- Percentile: 90.0
- Lexical Diversity: 1.57692
- Patent Class: 514.0
- Transitional Phrase Type: closed
- Component Type: 1
- Foreign Priority: False
- Related Applications: ['14773717', '14759853', '15194433', '15675262', '14693318']

Analysis Scores:
- 35 USC 101 Eligibility (BERT): 0.8390087995416181
- 35 USC 102 Novelty (BERT): 0.6198603960505049
- Combined Prediction Score: 0.8170939591925067
- Mean Citation Score: 509.04280400000016
- Max Citation Score: 553.43524
- Similarity Product: 526.1541401253653

Labels:
- Claim Label 101: 1
- Claim Label 102: 0
- Claim Label 103: 0
- Claim Label 112: 1
- Combined Label: 0
- Label 101 Adjusted: 1

Dataset: test