SCHEMBL7841860

SCHEMBL7841860

CS(=O)(=O)c1ccc(-c2sc(N3CCCCC3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.62
PTGS1 P23219 2/20 0.59

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
SCHEMBL7842725 0.88 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7844763 0.82 PTGS2 (0.44) PTGS2
SCHEMBL27048230 0.80 ALDH1A1 (0.53) PTGS2
SCHEMBL7846488 0.78 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL7845126 0.78 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL213779 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7842602 0.77 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL7842991 0.77 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL3242265 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL15269348 0.77 PTGS2 (0.61) 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 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