SCHEMBL6994972

SCHEMBL6994972

CCC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2cccc(C(F)F)c2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.47
PTGS1 P23219 7/20 0.44
ELANE P08246 6/20 0.41

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
SCHEMBL6993224 0.93 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL7002064 0.87 PTGS2 (0.50) PTGS2PTGS1ELANE
SCHEMBL7003688 0.86 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7003459 0.86 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL7001052 0.84 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6994456 0.84 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6995116 0.83 PTGS2 (0.45) PTGS2PTGS1ELANE
SCHEMBL6999474 0.83 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL6997775 0.82 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6995070 0.82 PTGS2 (0.45) 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