SCHEMBL4095160

SCHEMBL4095160

Cc1c(C(O)C(=O)O)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.63
PTGS1 P23219 2/20 0.62

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
SCHEMBL4093023 0.89 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL4096849 0.88 PTGS2 (0.57) PTGS2
SCHEMBL458211 0.87 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL3826827 0.86 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL3826972 0.85 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL462392 0.84 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL462394 0.84 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL462395 0.84 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL4096647 0.83 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL458212 0.83 PTGS2 (0.60) 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