SCHEMBL6993465

SCHEMBL6993465

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

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 8/20 0.47
PTGS2 P35354 16/20 0.44
KIF11 P52732 1/20 0.39

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
SCHEMBL6993183 0.90 PTGS2 (0.53) PTGS1PTGS2
SCHEMBL7001072 0.89 PTGS2 (0.41) PTGS1PTGS2KIF11
SCHEMBL7002416 0.87 PTGS2 (0.46) PTGS1PTGS2
SCHEMBL6994268 0.86 PTGS2 (0.46) PTGS1PTGS2
SCHEMBL6994647 0.86 PTGS1 (0.49) PTGS1PTGS2KIF11
SCHEMBL6994915 0.85 PTGS2 (0.46) PTGS1PTGS2
SCHEMBL6994581 0.83 PTGS2 (0.53) PTGS1PTGS2
SCHEMBL6997838 0.83 PTGS2 (0.58) PTGS1PTGS2
SCHEMBL6998559 0.80 PTGS2 (0.54) PTGS1PTGS2
SCHEMBL7002614 0.80 KIF11 (0.40) PTGS1PTGS2KIF11

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