SCHEMBL4097062

SCHEMBL4097062

CC(=O)Nc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccccc2)c1C

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.64
PTGS1 P23219 1/20 0.56

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
SCHEMBL4100729 0.88 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL4098458 0.80 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL3826160 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3826827 0.78 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL4095160 0.77 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL458211 0.77 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL3828806 0.77 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL3830863 0.76 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL3826564 0.76 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL461741 0.76 PTGS2 (0.80) 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-2059504-A1 3-SUBSTITUTED-1,5-DIARLY-2-ALKYL-PYRROLES HIGHLY SELECTIVE AND ORALLY EFFECTIVE COX-2 INHIBITORS Rottapharm S.p.A. (IT) 2009-05-20 EP disclosed
WO-2008014821-A1 3-SUBSTITUTED-1,5-DIARLY-2-ALKYL-PYRROLES HIGHLY SELECTIVE AND ORALLY EFFECTIVE COX-2 INHIBITORS ROTTAPHARM S.P.A. (IT) 2008-02-07 WO disclosed