SCHEMBL3908641

SCHEMBL3908641

CC[S+]([O-])c1ccc(-c2oc(C)cc(=O)c2Oc2ccc(F)cc2F)cc1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.68
PTGS1 P23219 8/20 0.68

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
SCHEMBL29612576 0.89 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL2127885 0.89 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL29612602 0.89 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL2125158 0.89 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL2125161 0.89 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL5097585 0.84 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL1376884 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3912064 0.80 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL3911984 0.80 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL2127265 0.78 PTGS2 (0.73) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592680-B9 2-PHENYLPYRAN-4-ONE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS ALMIRALL LAB (ES) 2009-03-25 EP claimed
EP-1592680-B1 2-PHENYLPYRAN-4-ONE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS ALMIRALL LAB (ES) 2008-05-07 EP claimed
EP-1263751-A1 2-PHENYLPYRAN-4-ONE DERIVATIVES Almirall Prodesfarma AG (CH) 2002-12-11 EP claimed
WO-2001068633-A1 2-PHENYLPYRAN-4-ONE DERIVATIVES ALMIRALL PRODESFARMA AG (CH) 2001-09-20 WO claimed