SCHEMBL7001189

SCHEMBL7001189

CCC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2cc(Cl)cc(C(F)(F)F)c2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.41
ELANE P08246 1/20 0.41
PTGS1 P23219 3/20 0.40

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
SCHEMBL6991685 0.91 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL6995460 0.90 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7001072 0.89 PTGS2 (0.41) PTGS2ELANEPTGS1
SCHEMBL6995322 0.88 PTGS2 (0.43) PTGS2ELANEPTGS1
SCHEMBL6997578 0.87 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL7001486 0.86 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6995116 0.86 PTGS2 (0.45) PTGS2ELANEPTGS1
SCHEMBL7001735 0.85 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6999807 0.83 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6994456 0.82 PTGS2 (0.44) 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-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP claimed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US claimed
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed