SCHEMBL4093023

SCHEMBL4093023

Cc1c(C(O)C(=O)O)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.79
PTGS1 P23219 3/20 0.79

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
SCHEMBL470694 0.90 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL4095160 0.89 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL463047 0.88 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL463046 0.88 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL3828552 0.88 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL463045 0.88 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL4095711 0.85 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL15051793 0.85 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL461628 0.84 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL15051434 0.83 PTGS2 (0.64) 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