SCHEMBL27418009

SCHEMBL27418009

CCCC(=O)NS(=O)(=O)CC=Cc1ccc(-n2cc(C(F)(F)F)nc2-c2cncc(C)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.56
PTGS1 P23219 6/20 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
SCHEMBL27444815 0.90 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL5071016 0.85 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL27443705 0.82 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL27441433 0.79 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5069858 0.75 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL27419229 0.75 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL3246331 0.73 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL27441452 0.72 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL212333 0.72 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL27421541 0.71 PTGS2 (0.59) PTGS2PTGS1

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
CN-1098256-C Substd. benzenesulfonamide derivs as prodrugs of COX-2 inhibitors SEARLE & CO (US) 2003-01-08 CN claimed
CN-1216043-A Substd. benzenesulfonamide derivs as prodrugs of COX-2 inhibitors SEARLE & CO (US) 1999-05-05 CN claimed
CN-1098256-C Substd. benzenesulfonamide derivs as prodrugs of COX-2 inhibitors SEARLE & CO (US) 2003-01-08 CN disclosed
CN-1216043-A Substd. benzenesulfonamide derivs as prodrugs of COX-2 inhibitors SEARLE & CO (US) 1999-05-05 CN disclosed