SCHEMBL7846419

SCHEMBL7846419

COc1ccc(-c2sc(-c3ccccc3Cl)nc2-c2ccccc2S(C)(=O)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.62
PTGS1 P23219 2/20 0.57
ALOX5 P09917 2/20 0.42
HSD11B1 P28845 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.39

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
SCHEMBL7842211 0.92 PTGS2 (0.64) PTGS2PTGS1HSD11B1L3MBTL1
SCHEMBL7833638 0.90 PTGS2 (0.66) PTGS2PTGS1HSD11B1L3MBTL1
SCHEMBL7845071 0.89 PTGS2 (0.65) PTGS2PTGS1HSD11B1L3MBTL1
SCHEMBL7846434 0.89 PTGS2 (0.65) PTGS2PTGS1ALOX5HSD11B1L3MBTL1
SCHEMBL7844794 0.87 PTGS2 (0.57) PTGS2PTGS1HSD11B1L3MBTL1
SCHEMBL7844725 0.87 PTGS2 (0.54) PTGS2PTGS1HSD11B1L3MBTL1
SCHEMBL7832739 0.87 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL7846417 0.87 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL7841925 0.85 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7833314 0.84 PTGS2 (0.59) PTGS2PTGS1HSD11B1L3MBTL1

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