SCHEMBL6998922

SCHEMBL6998922

COc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)OC(C)(C)C2=O)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.51
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
PTGS1 P23219 7/20 0.46
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL7000979 0.90 PTGS2 (0.48) PTGS2CA1CA2CA9CA12
SCHEMBL6993170 0.89 CA1 (0.60) PTGS2CA1CA2CA9CA12
SCHEMBL6995203 0.89 PTGS2 (0.50) PTGS2PTGS1MAPK1
SCHEMBL7002045 0.84 CA9 (0.52) PTGS2CA1CA2CA9CA12
SCHEMBL6996630 0.83 CA12 (0.45) PTGS2CA1CA2CA9CA12
SCHEMBL6999644 0.83 PTGS2 (0.49) PTGS2CA1CA2CA9CA12
SCHEMBL6999977 0.82 CA2 (0.51) PTGS2CA1CA2CA9CA12
SCHEMBL6997747 0.82 PTGS2 (0.47) PTGS2CA1CA2CA9CA12
SCHEMBL6992994 0.82 PTGS2 (0.42) PTGS2CA1CA2CA9CA12
SCHEMBL6999688 0.81 PTGS2 (0.60) PTGS2CA1CA2CA9CA12

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 6 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
EP-1109799-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP disclosed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO disclosed