SCHEMBL7842478

SCHEMBL7842478

CS(=O)(=O)c1ccc(-c2sc(-c3ccccc3Cl)nc2-c2ccc(F)cc2F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 1.00
PTGS1 P23219 2/20 1.00

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
SCHEMBL7840351 0.92 PTGS2 (0.85) PTGS2PTGS1
SCHEMBL7832608 0.91 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7831967 0.90 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL214091 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7832998 0.87 PTGS2 (0.86) PTGS2PTGS1
SCHEMBL7840959 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7842480 0.85 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL7843831 0.83 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL7833085 0.83 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL5698703 0.82 PTGS2 (1.00) 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