SCHEMBL6996465

SCHEMBL6996465

CC1(C)OC(c2ccc(S(N)(=O)=O)c(F)c2)=C(c2ccc(C(F)(F)F)cc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.40
PTGS2 P35354 5/20 0.39
PTGS1 P23219 3/20 0.39
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PTGES2 Q9H7Z7 2/20 0.34

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
SCHEMBL6999477 0.90 ALOX5AP (0.38) KIF11PTGS2PTGS1ALOX5APFEN1
SCHEMBL6994669 0.89 PTGES2 (0.39) PTGS2PTGS1ALOX5APFEN1PTGES2
SCHEMBL6999336 0.89 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6997334 0.87 PTGS2 (0.41) PTGS2PTGS1ALOX5APFEN1
SCHEMBL6998318 0.87 PTGS2 (0.41) PTGS2PTGS1ALOX5APFEN1
SCHEMBL7003332 0.86 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL3223651 0.86 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL3228803 0.85 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL7002176 0.83 CA1 (0.40) PTGS2PTGS1
SCHEMBL6999446 0.83 PTGS2 (0.37) KIF11PTGS2PTGS1ALOX5APFEN1

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