SCHEMBL7846434

SCHEMBL7846434

Cc1ccc(-c2sc(-c3ccccc3Cl)nc2-c2ccccc2S(C)(=O)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.65
PTGS1 P23219 2/20 0.59
HSD11B1 P28845 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPK14 Q16539 1/20 0.40
RAB9A P51151 2/20 0.39
ALOX5 P09917 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7833638 0.92 PTGS2 (0.66) PTGS2PTGS1HSD11B1L3MBTL1ALDH1A1
SCHEMBL7840911 0.91 PTGS2 (0.65) PTGS2PTGS1HSD11B1L3MBTL1ALDH1A1
SCHEMBL7845071 0.91 PTGS2 (0.65) PTGS2PTGS1HSD11B1L3MBTL1ALDH1A1
SCHEMBL7846419 0.89 PTGS2 (0.62) PTGS2PTGS1HSD11B1L3MBTL1ALOX5
SCHEMBL7842593 0.88 PTGS2 (0.58) PTGS2PTGS1HSD11B1L3MBTL1ALDH1A1
SCHEMBL8797505 0.88 PTGS2 (0.58) PTGS2PTGS1HSD11B1L3MBTL1ALDH1A1
SCHEMBL7846431 0.86 PTGS2 (0.87) PTGS2PTGS1HSD11B1MAPK14
SCHEMBL7833377 0.86 PTGS2 (0.87) PTGS2PTGS1HSD11B1MAPK14
SCHEMBL7843832 0.85 PTGS2 (0.59) PTGS2PTGS1HSD11B1L3MBTL1ALDH1A1
SCHEMBL7833088 0.83 PTGS2 (0.55) PTGS2PTGS1HSD11B1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed