SCHEMBL2170537

SCHEMBL2170537

[c]1nc(-c2ncco2)cs1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.33
LTA4H P09960 1/20 0.32
CHRNA7 P36544 1/20 0.31
CHRNA10 Q9GZZ6 1/20 0.31
CHRNA9 Q9UGM1 1/20 0.31

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
SCHEMBL100765 0.68 HPGDS (0.46) HPGDSLTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL1429349 0.68 KDM4A (0.39) HPGDSLTA4H
SCHEMBL221943 0.67 HPGDS (0.33) HPGDSLTA4H
SCHEMBL970056 0.67 KMT2A (0.37) HPGDSLTA4H
SCHEMBL549435 0.65 MAPT (0.50)
SCHEMBL1521933 0.65 HPGDS (0.36) HPGDSLTA4H
SCHEMBL2762962 0.65 HPGDS (0.33) HPGDSLTA4H
SCHEMBL9454155 0.65 HPGDS (0.40) HPGDSLTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL15600919 0.64 KDM4A (0.43)
SCHEMBL17701183 0.64 HPGDS (0.39) HPGDSLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964644-A1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE Amgen Inc. (US) 2016-01-13 EP claimed
WO-2014138484-A1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2014-09-12 WO claimed
US-7645764-B2 Kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2010-01-12 US claimed
US-7550494-B2 Small molecules useful in the treatment of inflammatory disease BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US claimed
US-20090131370-A1 Novel Nucleoside Derivatives METABASIS THERAPEUTICS , INC. (US) 2009-05-21 US claimed
EP-1216247-B1 IMIDAZOIMIDAZOLES AND TRIAZOLES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2008-11-05 EP claimed
US-20080249029-A1 Administering (S)-N-Methyl-D-phenylalanyl-N-[4-[(aminoiminomethyl)aminol-1-(2-benzothiazolylcarbonyl)butyl-L-prolinamide as a protease activated receptor-2 modulator SHAPIRO STANLEY S 2008-10-09 US claimed
EP-1556384-B1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2008-02-20 EP claimed
EP-1242426-B1 GAMMA-HYDROXY-2-(FLUOROALKYLAMINOCARBONYL)-1-PIPERAZINEPENTANAMIDES AS HIV PROTEASE INHIBITORS MERCK & CO INC (US) 2007-10-31 EP claimed
US-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives ASTELLAS PHARMA GMBH (DE) 2007-09-20 US claimed
EP-1216247-A1 IMIDAZOIMIDAZOLES AND TRIAZOLES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-06-26 EP claimed
EP-1194427-A1 THIOPHENE-ETHYL THIOUREA COMPOUNDS AND USE IN THE TREATMENT OF HIV Parker Hughes Institute (US) 2002-04-10 EP claimed
US-6313117-B1 TREATING AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-06 US claimed
WO-2001032648-A1 NOVEL CYCLOPROPANES AS CGRP ANTAGONISTS, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-05-10 WO claimed
WO-2001007440-A1 IMIDAZOIMIDAZOLES AND TRIAZOLES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-01 WO claimed
WO-2000078755-A1 THIOPHENE-ETHYL THIOUREA COMPOUNDS AND USE IN THE TREATMENT OF HIV PARKER HUGHES INSTITUTE (US) 2000-12-28 WO claimed
EP-0799205-B1 1,4,4-(TRISUBSTITUTED)CYCLOHEX-1-ENE DERIVATIVES AS PDE IV- AND TNF-INHIBITORS SMITHKLINE BEECHAM CORP (US) 1999-09-08 EP claimed
US-5002942-A Calcium channel blockers for cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1991-03-26 US claimed
US-4795755-A ANTISECRETORY, ANTIULCER AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-01-03 US claimed
EP-0008277-A1 Benzopyrano derivatives, pharmaceutical compositions containing them and processes for preparing the compounds and compositions Technobiotic Ltd. (CH) 1980-02-20 EP claimed

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

For each of this compound's patents that has machine-readable text (3 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-20080249029-A1 Administering (S)-N-Methyl-D-phenylalanyl-N-[4-[(aminoiminomethyl)aminol-1-(2-benzothiazolylcarbonyl)butyl-L-prolinamide as a protease activated receptor-2 modulator MC1R, F2RL1, F2R HPGDS 681/4885LTA4H 407/4885CHRNA7 2391/4885
US-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives NFATC1, PDCD1, ACIN1 HPGDS 96/4885LTA4H 967/4885CHRNA7 3150/4885
US-20090131370-A1 Novel Nucleoside Derivatives SLC29A1, SLC29A2, PNP HPGDS 1635/4885LTA4H 3359/4885CHRNA7 4555/4885

“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.