SCHEMBL7843538

SCHEMBL7843538

CS(=O)(=O)c1ccccc1-c1sc(CS(=O)(=O)c2cccs2)nc1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.48
PTGS1 P23219 2/20 0.47
ALOX5 P09917 1/20 0.45
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 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
SCHEMBL7843536 0.86 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL7840875 0.83 PTGS2 (0.67) PTGS2PTGS1ALOX5
SCHEMBL7841730 0.82 PTGS2 (0.55) PTGS2PTGS1ALOX5
SCHEMBL7842946 0.81 PTGS2 (0.72) PTGS2PTGS1ALOX5
SCHEMBL8918758 0.81 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL7846132 0.80 PTGS2 (0.53) PTGS2PTGS1ALOX5
SCHEMBL7832465 0.80 PTGS2 (0.71) PTGS2PTGS1ALOX5
SCHEMBL7834122 0.80 PTGS2 (0.72) PTGS2PTGS1ALOX5
SCHEMBL7844098 0.80 PTGS2 (0.72) PTGS2PTGS1ALOX5
SCHEMBL7839858 0.80 PTGS2 (0.54) PTGS2PTGS1

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 2 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