SCHEMBL7210344

SCHEMBL7210344

CC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 1.00
PTGS1 P23219 2/20 0.68
CHRNA7 P36544 2/20 0.63

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
SCHEMBL1382367 0.88 PTGS2 (0.78) PTGS2PTGS1CHRNA7
SCHEMBL7215274 0.87 PTGS2 (1.00) PTGS2PTGS1CHRNA7
SCHEMBL5311097 0.87 PTGS2 (0.77) PTGS2PTGS1CHRNA7
SCHEMBL7212003 0.85 PTGS2 (1.00) PTGS2PTGS1CHRNA7
SCHEMBL4100729 0.83 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL7212067 0.83 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL5965074 0.83 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL7210478 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7212040 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5313386 0.81 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-1369415-A1 Substituted pyrrolyl compounds for the treatment of inflammation G.D. SEARLE & CO. (US) 2003-12-10 EP claimed
EP-1369415-A1 Substituted pyrrolyl compounds for the treatment of inflammation G.D. SEARLE & CO. (US) 2003-12-10 EP disclosed
EP-0946507-A1 SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1999-10-06 EP disclosed
WO-1998025896-A1 SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-06-18 WO disclosed