SCHEMBL3698353

SCHEMBL3698353

CCCCCc1nc(C(=O)O)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.57
ECE1 P42892 1/20 0.54
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
HCAR2 Q8TDS4 3/20 0.46
HCAR3 P49019 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 3/20 0.42
GPR35 Q9HC97 5/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL27867999 0.98 PLA2G4A (0.60) PLA2G4AECE1MMP1MMP2MMP9
SCHEMBL3549517 0.98 PLA2G4A (0.60) PLA2G4AECE1MMP1MMP2MMP9
SCHEMBL1246008 0.95 PLA2G4A (0.55) PLA2G4AECE1MMP1MMP2MMP9
SCHEMBL2142883 0.88 MMP1 (0.50) PLA2G4AECE1MMP1MMP2MMP9
SCHEMBL1837764 0.85 ECE1 (0.44) PLA2G4AECE1KDM4EALDH1A1MEN1
SCHEMBL29287225 0.84 ECE1 (0.46) PLA2G4AECE1KDM4EALDH1A1MEN1
SCHEMBL10277057 0.83 MMP1 (0.49) PLA2G4AECE1MMP1MMP2MMP9
SCHEMBL28787642 0.83 PLA2G4A (0.42) PLA2G4AECE1MMP1MMP2MMP9
SCHEMBL3647336 0.81 RAB9A (0.56) PLA2G4AECE1MMP1MMP13ALDH1A1
SCHEMBL31240452 0.81 MMP1 (0.48) PLA2G4AECE1MMP1MMP2MMP9

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103827098-B The 3-(thiazole-4-carbonyl)-replaced or 3-(thiazole-2-carbonyl)-alanine derivatives and the purposes as medicine thereof 赛诺菲 2016-06-15 CN disclosed
EP-2736891-B1 SUBSTITUTED 3-(THIAZOLE-4-CARBONYL)- OR 3-(THIAZOLE-2-CARBONYL)- AMINOPROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2016-04-20 EP disclosed
US-9174952-B2 Substituted 3-thiazoloamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-11-03 US disclosed
EP-2736891-A1 SUBSTITUTED 3 - (THIAZOLE - 4 - CARBONYL) - OR 3 - (THIAZOLE - 2 - CARBONYL) AMINOPROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-06-04 EP disclosed
US-20130053402-A1 SUBSTITUTED 3-THIAZOLOAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-02-28 US disclosed
WO-2013014205-A1 SUBSTITUTED 3 - (THIAZOLE - 4 - CARBONYL) - OR 3 - (THIAZOLE - 2 - CARBONYL) AMINOPROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-01-31 WO disclosed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO disclosed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 US disclosed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP disclosed
EP-0402246-B1 Thiazolylalkoxyacrylates, process for their preparation, their use as fungicides and intermediates in their preparation ROUSSEL UCLAF (FR) 1994-08-24 EP disclosed
CN-1048386-A Novel thiazole base alkoxy acrylic ester, they the preparation method, do the purposes of mycocide and prepare the intermediate of this compounds ROUSSEL UCLAF (FR) 1991-01-09 CN disclosed
EP-0402246-A1 Thiazolylalkoxyacrylates, process for their preparation, their use as fungicides and intermediates in their preparation ROUSSEL-UCLAF (FR) 1990-12-12 EP 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 (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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 PLA2G4A 4395/4885ECE1 508/4885MMP1 121/4885
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GOT2, PC, CYP11B2 PLA2G4A 4005/4885ECE1 1934/4885MMP1 4327/4885
US-20130053402-A1 SUBSTITUTED 3-THIAZOLOAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSF, CTSS, CTSK PLA2G4A 544/4885ECE1 256/4885MMP1 199/4885

“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.