SCHEMBL6997787

SCHEMBL6997787

CC(=O)c1cc(F)cc(C2=C(c3ccc(S(N)(=O)=O)cc3)OC(C)(C)C2=O)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.40
PTGS1 P23219 7/20 0.36
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 4/20 0.35
CA12 O43570 3/20 0.35
CHRNA7 P36544 2/20 0.35
CA4 P22748 1/20 0.34
CA14 Q9ULX7 1/20 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
SCHEMBL7004184 0.89 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6996692 0.88 RXRA (0.42) PTGS2PTGS1CA1CA2CA9
SCHEMBL6991749 0.87 PTGS2 (0.41) PTGS2CA1CA2CA9CA12
SCHEMBL6994970 0.85 CA2 (0.46) PTGS2CA1CA2CA9CA12
SCHEMBL7000178 0.85 CA2 (0.46) PTGS2PTGS1CA1CA2CA9
SCHEMBL7000891 0.84 PGR (0.43) PTGS2PTGS1
SCHEMBL7001802 0.82 KIF11 (0.43) PTGS2PTGS1CA1CA2CA9
SCHEMBL7003008 0.82 CHRNA7 (0.40) PTGS2PTGS1CA1CA2CA9
SCHEMBL6994983 0.82 CHRNA7 (0.44) PTGS2PTGS1CHRNA7
SCHEMBL6992672 0.81 PTGS2 (0.51) 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