SCHEMBL7001899

SCHEMBL7001899

CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cccnc2)C1=O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.57
CA9 Q16790 5/20 0.57
CA1 P00915 4/20 0.57
CA12 O43570 2/20 0.57
PTGS2 P35354 9/20 0.44
PTGS1 P23219 1/20 0.44
DYRK1A Q13627 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
HASPIN Q8TF76 1/20 0.39
CDK19 Q9BWU1 1/20 0.39

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
SCHEMBL6998616 0.89 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6996457 0.86 CA2 (0.52) CA2CA9CA1CA12PTGS2
SCHEMBL6999710 0.85 CA2 (0.49) CA2CA9CA1CA12PTGS2
SCHEMBL7002002 0.85 PTGS2 (0.56) CA2CA9CA1CA12PTGS2
SCHEMBL6999688 0.81 PTGS2 (0.60) CA2CA9CA1CA12PTGS2
SCHEMBL6999849 0.81 CA2 (0.53) CA2CA9CA1CA12PTGS2
SCHEMBL6999323 0.80 CA2 (0.54) CA2CA9CA1CA12PTGS2
SCHEMBL7001251 0.80 CA2 (0.56) CA2CA9CA1CA12PTGS2
SCHEMBL6999284 0.79 CA1 (0.58) CA2CA9CA1CA12PTGS2
SCHEMBL7000106 0.79 CA2 (0.53) CA2CA9CA1CA12PTGS2

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