SCHEMBL4096849

SCHEMBL4096849

COc1ccc(-n2c(-c3ccc(S(C)(=O)=O)cc3)cc(C(O)C(=O)O)c2C)cc1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.57

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
SCHEMBL4095160 0.88 PTGS2 (0.63) PTGS2
SCHEMBL3826469 0.88 PTGS2 (0.55) PTGS2
SCHEMBL4092136 0.86
SCHEMBL15051716 0.85 PTGS2 (0.60) PTGS2
SCHEMBL15050961 0.83 PTGS2 (0.61) PTGS2
SCHEMBL15051711 0.83 PTGS2 (0.62) PTGS2
SCHEMBL15051523 0.82 PTGS2 (0.56) PTGS2
SCHEMBL15051524 0.81 PTGS2 (0.64) PTGS2
SCHEMBL4552437 0.81 CHRNA7 (0.61) PTGS2
SCHEMBL4093023 0.80 PTGS2 (0.79) PTGS2

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