SCHEMBL4552223

SCHEMBL4552223

CCOC(=O)OCC(C)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccccc2)c1C

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.58
PTGS2 P35354 2/20 0.58

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
SCHEMBL4096647 0.84 PTGS2 (0.63) PTGS1PTGS2
SCHEMBL3831312 0.80 PTGS2 (0.73) PTGS1PTGS2
SCHEMBL3826972 0.79 PTGS2 (0.62) PTGS1PTGS2
SCHEMBL458211 0.79 PTGS2 (0.59) PTGS1PTGS2
SCHEMBL10092029 0.78 PTGS2 (0.52) PTGS1PTGS2
SCHEMBL3826827 0.78 PTGS2 (0.60) PTGS1PTGS2
SCHEMBL4095160 0.78 PTGS2 (0.63) PTGS1PTGS2
SCHEMBL3822647 0.76 PTGS2 (0.83) PTGS1PTGS2
SCHEMBL12473258 0.76 PTGS2 (0.56) PTGS1PTGS2
SCHEMBL4097790 0.76 PTGS2 (0.66) PTGS1PTGS2

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