SCHEMBL7002825

SCHEMBL7002825

CCn1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)OC(C)(C)C2=O)n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.38
CA2 P00918 9/20 0.38
CA9 Q16790 4/20 0.38
CA12 O43570 2/20 0.38
PTGS2 P35354 8/20 0.36
CHRNA7 P36544 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
PTGS1 P23219 1/20 0.35
CA4 P22748 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
SCHEMBL7004874 0.90 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL7000770 0.89 CA1 (0.37) CA1CA2CA9CA12PTGS2
SCHEMBL6999948 0.88 PTGS2 (0.43) CA1CA2CA9CA12PTGS2
SCHEMBL7002714 0.83 PTGS2 (0.39) CA1CA2CA9CA12PTGS2
SCHEMBL6994981 0.80 PTGS2 (0.39) CA1CA2CA9CA12PTGS2
SCHEMBL6997162 0.80 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL7003061 0.77 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL7002267 0.76 CA2 (0.54) CA1CA2CA9CA12PTGS2
SCHEMBL6999156 0.75 CA9 (0.49) CA1CA2CA9CA12PTGS2
SCHEMBL6999688 0.75 PTGS2 (0.60) CA1CA2CA9CA12PTGS2

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