SCHEMBL4552437

SCHEMBL4552437

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

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.61
PTGS2 P35354 2/20 0.59

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
SCHEMBL3842574 0.87 CHRNA7 (0.67) CHRNA7PTGS2
SCHEMBL3824225 0.81 PTGS2 (0.78) PTGS2
SCHEMBL4096849 0.81 PTGS2 (0.57) PTGS2
SCHEMBL4097193 0.80 PTGS2 (0.59) PTGS2
SCHEMBL4091271 0.79 PTGS2 (0.69) PTGS2
SCHEMBL3826469 0.79 PTGS2 (0.55) PTGS2
SCHEMBL4092136 0.77
SCHEMBL3824188 0.77 PTGS2 (0.56) CHRNA7PTGS2
SCHEMBL15051716 0.77 PTGS2 (0.60) PTGS2
SCHEMBL5311097 0.76 PTGS2 (0.77) CHRNA7PTGS2

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