SCHEMBL6997404

SCHEMBL6997404

Cn1cc(C2=C(c3ccc(S(N)(=O)=O)cc3)OC(C)(C)C2=O)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
CCNT1 O60563 4/20 0.42
CCNB2 O95067 4/20 0.42
CCNE2 O96020 4/20 0.42
CDK1 P06493 4/20 0.42
CCNB1 P14635 4/20 0.42
CCNE1 P24864 4/20 0.42
CDK2 P24941 4/20 0.42
CDK9 P50750 4/20 0.42
CDK5 Q00535 4/20 0.42
CDK5R1 Q15078 4/20 0.42
CCNB3 Q8WWL7 4/20 0.42
FYN P06241 1/20 0.41
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 1/20 0.38
EP300 Q09472 2/20 0.36

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
SCHEMBL7003059 0.89 FLT3 (0.41) PTGS2CCNT1CCNB2CCNE2CDK1
SCHEMBL6993155 0.87 FYN (0.41) PTGS2CCNCCDK8CCNT1CCNB2
SCHEMBL7002714 0.85 PTGS2 (0.39) PTGS2CA1CA2CA9CA12
SCHEMBL6997220 0.85 PTGS2 (0.39) PTGS2CA1CA2CA9CA12
SCHEMBL6999948 0.83 PTGS2 (0.43) PTGS2CA1CA2CA9CA12
SCHEMBL6999688 0.80 PTGS2 (0.60) PTGS2CA1CA2CA9CA12
SCHEMBL6999710 0.79 CA2 (0.49) PTGS2CCNCCDK8CA1CA2
SCHEMBL7002002 0.79 PTGS2 (0.56) PTGS2CA1CA2CA9CA12
SCHEMBL7003386 0.78 CA2 (0.49) PTGS2CA1CA2CA9CA12
SCHEMBL7000106 0.78 CA2 (0.53) 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 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