SCHEMBL7842211

SCHEMBL7842211

COc1ccc(-c2nc(-c3ccccc3Cl)sc2-c2ccccc2S(C)(=O)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.64
PTGS1 P23219 2/20 0.53
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGDR2 Q9Y5Y4 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
SCHEMBL7846419 0.92 PTGS2 (0.62) PTGS2PTGS1HSD11B1L3MBTL1
SCHEMBL7845047 0.89 PTGS2 (0.66) PTGS2PTGS1HSD11B1ALDH1A1L3MBTL1
SCHEMBL7844755 0.89 PTGS2 (0.72) PTGS2PTGS1HSD11B1ALDH1A1L3MBTL1
SCHEMBL7846417 0.88 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL7832739 0.88 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL7833463 0.88 PTGS2 (0.65) PTGS2PTGS1HSD11B1ALDH1A1L3MBTL1
SCHEMBL7840911 0.88 PTGS2 (0.65) PTGS2PTGS1HSD11B1ALDH1A1L3MBTL1
SCHEMBL7833474 0.87 PTGS2 (0.76) PTGS2PTGS1MAPT
SCHEMBL7842701 0.86 PTGS2 (0.59) PTGS2PTGS1HSD11B1ALDH1A1L3MBTL1
SCHEMBL7842839 0.86 PTGS2 (0.54) PTGS2PTGS1HSD11B1ALDH1A1L3MBTL1

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