SCHEMBL4094353

SCHEMBL4094353

CC(=O)Oc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)c(F)c2)c1C

nearest known ligand 0.66

Predicted protein targets (top 2)

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

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
SCHEMBL4098458 0.85 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL4097193 0.84 PTGS2 (0.59) PTGS2
SCHEMBL3824614 0.79 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8504235 0.78 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL3827524 0.78 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL3830202 0.77 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7212139 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL10092143 0.75 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL17453258 0.73 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL7210344 0.72 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 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