SCHEMBL890515

SCHEMBL890515

CS(=O)(=O)c1ccccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.49
FABP1 P07148 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
OXTR P30559 1/20 0.46
NPC1 O15118 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
RXRA P19793 1/20 0.46
DAO P14920 1/20 0.43
TSHR P16473 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29788178 1.00 PTGS2 (0.49) PTGS2FABP1MEN1KMT2ARAB9A
SCHEMBL890835 0.85 OXTR (0.45) PTGS2MEN1KMT2ARAB9AOXTR
SCHEMBL6303170 0.85 MKNK1 (0.54) PTGS2RAB9AOXTRTSHRCA12
SCHEMBL8658514 0.83 PTGS2 (0.62) PTGS2RAB9AKDM4EALDH1A1
SCHEMBL29415408 0.83 PTGS2 (0.61) PTGS2KMT2ARAB9AKDM4EALDH1A1
SCHEMBL937206 0.83 PTGS2 (0.61) PTGS2KMT2ARAB9AKDM4EALDH1A1
SCHEMBL3312743 0.83 CA1 (0.56) FABP1MEN1KMT2ARAB9ANPC1
SCHEMBL8796477 0.81 TDP1 (0.50) PTGS2TTRALDH1A1
SCHEMBL2447766 0.81 PTGS2 (0.64) PTGS2RAB9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7352630 0.81 PTGS2 (0.59) PTGS2KMT2ARAB9AKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732032-B2 3-aminocyclopentane carboxamide derivatives MERCK PATENT GMBH (DE) 2017-08-15 US claimed
CN-104797553-B 3 aminocyclopentanecarasxamides derivatives 默克专利股份公司 2017-07-21 CN claimed
EP-2920146-B1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-28 EP claimed
US-20160264517-A1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-15 US claimed
EP-2920146-A1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES Merck Patent GmbH (DE) 2015-09-23 EP claimed
CN-104797553-A 3-aminocyclopentane carboxamide derivatives MERCK PATENT GMBH 2015-07-22 CN claimed
WO-2014075754-A1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2014-05-22 WO claimed
CN-114773249-A Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2022-07-22 CN disclosed
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2021-07-27 US disclosed
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS EPICS THERAPEUTICS (BE) 2020-11-05 US disclosed
US-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2020-09-22 US disclosed
US-20200148636-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) EPICS THERAPEUTICS (BE) 2020-05-14 US disclosed
US-10577318-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2020-03-03 US disclosed
EP-1216228-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-06-26 EP disclosed
US-6376515-B2 DERIVATIVES OF A 2-((4-AMIDINYLPHENYL)-CARBONYLAMINO-1,2-PHENYLENE)-CARBONYLAMINO-) PYRIDINE; POTENT AND HIGHLY SELECTIVE ANTICOAGULANTS; BIOAVAILABILITY AND/OR SOLUBILITY; PREVENTION AND TREATMENT OF THROMBOSIS AND COAGULATION COR THERAPEUTICS, INC. 2002-04-23 US disclosed
US-20020002183-A1 Derivatives of a 2-((4-amidinylphenyl)-carbonylamino-1,2-phenylene)-carbonylamino-)pyridine; potent and highly selective anticoagulants; bioavailability and/or solubility; prevention and treatment of thrombosis and coagulation MILLENNIUM PHARMACEUTICALS, INC. 2002-01-03 US disclosed
WO-2001064642-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. (US) 2001-09-07 WO disclosed
WO-2001064643-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-09-07 WO disclosed
WO-2001038309-A1 β-AMINO ACID-, ASPARTIC ACID- AND DIAMINOPROPIONIC-BASED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-05-31 WO disclosed
WO-2001019788-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-03-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160264517-A1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES FADS1, FASN, FFAR3 PTGS2 332/4885FABP1 243/4885MEN1 4470/4885
US-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 PTGS2 960/4885FABP1 116/4885MEN1 3871/4885
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 PTGS2 960/4885FABP1 116/4885MEN1 3871/4885
US-20200148636-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) GPR119, GPR65, GPR84 PTGS2 1337/4885FABP1 39/4885MEN1 3717/4885
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 PTGS2 960/4885FABP1 116/4885MEN1 3871/4885
US-10577318-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 PTGS2 1128/4885FABP1 167/4885MEN1 3317/4885
US-20020002183-A1 Derivatives of a 2-((4-amidinylphenyl)-carbonylamino-1,2-phenylene)-carbonylamino-)pyridine; potent and highly selective anticoagulants; bioavailability and/or solubility; prevention and treatment of thrombosis and coagulation F2, F12, PLAT PTGS2 1423/4885FABP1 1185/4885MEN1 990/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.