SCHEMBL5498086

SCHEMBL5498086

O=C(O)OC1=Cc2cc(Cl)cc(Cl)c2O[C@@H]1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.66
PTGS1 P23219 14/20 0.66

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
SCHEMBL7143272 1.00 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL7140509 0.90 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7147369 0.88 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7149813 0.88 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7150702 0.88 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7145416 0.88 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7150695 0.87 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7142503 0.87 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7146351 0.87 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL18060584 0.87 PTGS2 (0.69) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355631-B1 ORAL FAST-MELT FORMULATION OF A CYCLOOXYGENASE-2 INHIBITOR PHARMACIA CORP (US) 2007-10-03 EP claimed
EP-1414409-B1 STABILIZED ORAL SUSPENSION FORMULATION PHARMACIA CORP (US) 2007-02-14 EP claimed
EP-1471890-B1 PHARMACEUTICAL DOSAGE FORM FOR MUCOSAL DELIVERY PHARMACIA CORP (US) 2006-09-27 EP claimed
EP-1608407-B1 DISPERSIBLE FORMULATION OF AN ANTI-INFLAMMATORY AGENT PHARMACIA CORP (US) 2006-08-30 EP claimed
EP-1239857-B1 DUAL-RELEASE COMPOSITIONS OF A CYCLOOXYGENASE-2- INHIBITOR PHARMACIA CORP (US) 2006-04-19 EP claimed
EP-1372645-B1 RECONSTITUTABLE PARENTERAL COMPOSITION CONTAINING A COX-2 INHIBITOR PHARMACIA CORP (US) 2005-11-23 EP claimed
EP-1175214-B1 CYCLOOXYGENASE-2 INHIBITOR COMPOSITIONS HAVING RAPID ONSET OF THERAPEUTIC EFFECT PHARMACIA CORP (US) 2004-11-24 EP claimed
EP-0977748-B1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-03-26 EP claimed