SCHEMBL6440951

SCHEMBL6440951

CCc1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 1.00
PTGS1 P23219 2/20 1.00

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
SCHEMBL7832631 1.00 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7832049 0.88 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL7841727 0.88 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL7841141 0.88 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL7846948 0.86 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL7846131 0.86 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL7832463 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7832958 0.85 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL7839801 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7833967 0.85 PTGS2 (0.74) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833622-B8 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR SEARLE & CO (US) 2005-10-12 EP disclosed
EP-0833622-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR G.D. SEARLE & CO. (US) 1998-04-08 EP disclosed
WO-1996041626-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR G.D. SEARLE & CO. (US) 1996-12-27 WO disclosed