PATENT CLAIM ANALYSIS

Application Number: 16075514
Application Type: Utility
Filing Date: 2018-08
Publication Date: 2019-02
Patent Classification: ["514", "254000"]

Abstract:
The present disclosure provides a posaconazole derivative, a pharmaceutical composition and use thereof, which specifically include a compound represented by the following formula (I), a racemate, stereoisomer, tautomer, oxynitride, or a pharmaceutically acceptable salt thereof: The compounds of the present disclosure have strong antifungal activity, high safety, and good water solubility, without the need for the addition of a cosolvent (such as hydroxypropyl-β-cyclodextrin, sulfobutyl ether-β-cyclodextrin, and the like) with potential safety risks. Furthermore, the formulation process of the compound could have less difficulty and less cost, and therefore can be used to prepare improved antifungal drugs.

Claim (Index 1):
A compound represented by formula (I), a racemate, stereoisomer, tautomer, oxynitride, or a pharmaceutically acceptable salt thereof: wherein, R is selected from unsubstituted or optionally substituted triazole groups, for example, from the following groups which are unsubstituted or optionally substituted with one or more R a  or R b : R t  is selected from X 1  and X 2  are independently selected from F, Cl, Br, or I; each X 3  is independently selected from pharmaceutically acceptable anions; R 1  is selected from OH or R h ; R h  is a group that can be converted into a hydroxyl group in vivo, for example, O(O)CR f , \u2014OP(O)(OM 1 )(OM 2 ), \u2014OS(O) 2 OM 3 , or the following groups which are unsubstituted or optionally substituted with one or more R b : C 1-40  alkyloxy, C 3-20  cycloalkyloxy, 3-20 membered heterocyclyloxy, C 6-20  aryloxy, or 5-20 membered heteroaryloxy;\n R 2  and R 4  are independently selected from H, or C 1-40  alkyl which is unsubstituted or optionally substituted with one or more R a ; \n R 3  is selected from C 1-40  alkyl which is unsubstituted or optionally substituted with one or more R b ; \n R 5  and R 6  are independently selected from H, or the following groups which are unsubstituted or optionally substituted with one or more R m : C 1-40  alkyl, C 2-40  alkenyl, C 2-40  alkynyl, C 3-20  cycloalkyl, 3-20 membered heterocyclyl, C 6-20  aryl, 5-20 membered heteroaryl, or \u2014C(O)R f ; \n Ar is selected from the following groups which are unsubstituted or optionally substituted with one or more R c : C 6-20  aryl, 5-20 membered heteroaryl, wherein the heteroaryl comprises 1-5 heteroatoms independently selected from N, O or S; \n R 7  is selected from the following groups which are unsubstituted or optionally substituted with one or more R c ; C 1-40  alkyl, C 3-20  cycloalkyl, 3-20 membered heterocyclyl, C 6-20  aryl, 5-20 membered heteroaryl, \u2014Y 2 P(O)(OM 1 )(OM 2 ), \u2014C(O)R f  or \u2014(CH 2 CH 2 O) z \u2014R b , wherein z is an integer of 1 or more, preferably an integer of 1 to 10; \n R 8  is selected from H, or the following groups which are unsubstituted or optionally substituted with one or more R b : C 1-40  alkyl, C 3-20  cycloalkyl, 3-20 membered heterocyclyl, C 6-20  aryl, 5-20 membered heteroaryl, NR d R e , \u2014CONR d R e , \u2014C(O)Y 2 R f , \u2014Y 2 (O)CR f , \u2014Y 2 P(O)(OM 1 )(OM 2 ), or \u2014Y 2 S(O) 2 OM 3 ; \n R 9  is selected from the following groups which are unsubstituted or optionally substituted with one or more R b : R 10 \u2014Y 3 -Y 4 \u2014, R 11 \u2014C(O)\u2014Y 5 \u2014Y 6 \u2014, C 1-40  alkyl, C 1-40  alkoxy, C 3-20  cycloalkyl, 3-20 membered heterocyclyl, C 6-20  aryl, 5-20 membered heteroaryl, \u2014Y 2 \u2014N(R 4 )\u2014C(\u2550NH)\u2014NH 2 , \u2014Y 3 \u2014N(R 2 )\u2014C(O)\u2014Y 2 \u2014N(R 4 )\u2014C(\u2550NH)\u2014NH 2 , \u2014(CH 2 CH 2 O) z \u2014H, wherein z is an integer of 1 or more, preferably an integer of 1 to 10; \n R 10  and R 11  are independently selected from H, or the following groups which are unsubstituted or optionally substituted with one or more R b : C 1-40  alkyl, C 2-40  alkenyl, C 2-40  alkynyl, C 3-20  cycloalkyl, 3-20 membered heterocyclyl, C 6-20  aryl, 5-20 membered heteroaryl, \u2014Y 2 P(O)(OM 1 )(OM 2 ), or \u2014Y 2 S(O) 2 OM 3 ; \n Y 1 , Y 2 , Y 3 , Y 4 , Y 5  and Y 6  are independently selected from a chemical bond, \u2014O\u2014, \u2014S\u2014 or the following groups which are unsubstituted or optionally substituted with one or more R a , \u2014NH\u2014, C 1-40  alkyl, C 1-40  alkoxy, C 3-20  cycloalkyl, 3-20 membered heterocyclyl, C 6-20  aryl, 5-20 membered heteroaryl, or \u2014(CH 2 CH 2 O) m , wherein m is an integer of 0 or more, for example, an integer from 0 to 10; \n preferably, when two or more of Y 1 , Y 2 , Y 3 , Y 4 , Y 5  and Y 6  are adjacent, the adjacent groups are not chemical bonds at the same time; \n each R a  is independently selected from H, C 1-40  alkyl, C 1-40  alkoxy, C 2-40  alkenyl, C 2-40  alkynyl, C 3-20  cycloalkyl, F, Cl, Br, I, OH, SH, CN, \u2550O, NR d R e , \u2014C(O)Y 2 R f , \u2014Y 2 (O)CR f , \u2014CONR d R e , \u2014Y 2 P(O)(OM 1 )(OM 2 ), or \u2014Y 2 S(O) 2 OM 3 ; \n each R b  is independently selected from H, F, Cl, Br, I, OH, SH, CN, or the following groups which are unsubstituted or optionally substituted with one or more R a : C 1-40  alkyl, C 1-40  alkoxy, C 2-40  alkenyl, C 2-40  alkynyl, C 3-20  cycloalkyl, C 3-20  cycloalkyloxy, 3-20 membered heterocyclyl, 3-20 membered heterocyclyloxy, C 6-20  aryl, C 6-20  aryloxy, 5-20 membered heteroaryl, 5-20 membered heteroaryloxy, NR d R e , \u2014CONR d R e , \u2014C(O)Y 2 R f , \u2014Y 2 (O)CR f , \u2014Y 2 P(O)(OM 1 )(OM 2 ), or \u2014Y 2 S(O) 2 OM 3 ; \n each R c  is independently selected from F, Cl, Br, I, OH, SH, CN or the following groups which are unsubstituted or optionally substituted with one or more R a : C 1-40  alkyl, C 1-40  alkoxy, C 2-40  alkenyl, C 2-40  alkynyl, C 3-20  cycloalkyl, 3-20 membered heterocyclyl, C 6-20  aryl, 5-20 membered heteroaryl, NR d R e , \u2014CONR d R e , \u2014C(O)Y 2 R f , \u2014Y 2 (O)CR f , \u2014Y 2 P(O)(OM 1 )(OM 2 ), or \u2014Y 2 S(O) 2 OM 3 ; \n each R d  and R e  are independently selected from H, or the following groups which are unsubstituted or optionally substituted with one or more R m : C 1-40  alkyl, C 2-40  alkenyl, C 2-40  alkynyl, C 3-20  cycloalkyl, 3-20 membered heterocyclyl, C 6-20  aryl, 5-20 membered heteroaryl, \u2014CONR f R g , \u2014C(O)Y 2 R f , \u2014Y 2 (O)CR f , \u2014Y 2 P(O)(OM 1 )(OM 2 ), or \u2014Y 2 S(O) 2 OM 3 ; \n each R f  and R g  are independently selected from H, or the following groups which are unsubstituted or optionally substituted with one or more R m : C 1-40  alkyl, C 2-40  alkenyl, C 2-40  alkynyl, C 3-20  cycloalkyl, COOH, 3-20 membered heterocyclyl, C 6-20  aryl, or 5-20 membered heteroaryl; \n each R m  is independently selected from H, F, Cl, Br, I, OH, SH, CN, or the following groups which are unsubstituted or optionally substituted with one or more R a : C 1-40  alkyl, C 1-40  alkoxy, C 2-40  alkenyl, C 2-40  alkynyl, C 3-20  cycloalkyl, 3-20 membered heterocyclyl, C 6-20  aryl, 5-20 membered heteroaryl, NR d R e , \u2014CONR d R e , \u2014C(O)Y 2 R f , Y 2 (O)CR f , \u2014Y 2 P(O)(OM 1 )(OM 2 ), or \u2014Y 2 S(O) 2 OM 3 ; \n M 1 , M 2 , and M 3  are independently selected from H, or C 1-40  alkyl which is unsubstituted or optionally substituted with one or more R b ; \n provided that when R is \n \u2003R 1  is not hydroxyl; and when R t  is R 3  is not \u2014CH 2 NHCH 3 ;\n wherein the heterocyclyl and heteroaryl independently from each other contain 1-5 heteroatoms independently selected from N, O and S.

Metadata:
- Claim Count in Document: 23.0
- Percentile: 96.0
- Lexical Diversity: 1.56
- Patent Class: 514.0
- Transitional Phrase Type: none
- Component Type: 0
- Foreign Priority: True
- Related Applications: ['12226286', '12421230', '15380836', '10984522', '10984093']

Analysis Scores:
- 35 USC 101 Eligibility (BERT): 0.7603671842260682
- 35 USC 102 Novelty (BERT): 0.5103148118166855
- Combined Prediction Score: 0.7353619469851299
- Mean Citation Score: 272.868316
- Max Citation Score: 278.55414
- Similarity Product: 226.1038693435013

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

Dataset: test