SCHEMBL6995948

SCHEMBL6995948

CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2ccc(F)s2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.39
PTGS1 P23219 10/20 0.38
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA1 P00915 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL7002695 0.89 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6999679 0.86 PTGS2 (0.36) PTGS2PTGS1CA2CA9CA1
SCHEMBL6999625 0.81 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL6992672 0.81 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6998585 0.80 PTGS2 (0.39) PTGS2PTGS1CA2CA9KDM4E
SCHEMBL6993233 0.80 PTGS2 (0.49) PTGS2PTGS1CA2CA9CA1
SCHEMBL7004184 0.79 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6999688 0.78 PTGS2 (0.60) PTGS2PTGS1CA2CA9CA1
SCHEMBL6993821 0.78 PTGS2 (0.50) PTGS2PTGS1CA2CA1
SCHEMBL6999628 0.78 PTGS2 (0.44) PTGS2PTGS1CA2CA9KDM4E

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