SCHEMBL6624935

SCHEMBL6624935

Cc1cc(-c2coc3c(-c4ccc(F)cc4)c(-c4ccc(S(C)(=O)=O)cc4)nn23)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.51
PTGS1 P23219 1/20 0.43

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
SCHEMBL6624049 0.88 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6622926 0.88 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6622744 0.84 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6622768 0.77 PTGS1 (0.54) PTGS2PTGS1
SCHEMBL6621543 0.77 PTGS2 (0.53) PTGS2
SCHEMBL6621969 0.77 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6621866 0.77 PTGS2 (0.54) PTGS2
SCHEMBL6621848 0.77 PTGS2 (0.54) PTGS2
SCHEMBL6624220 0.73 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL6621179 0.72 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206474-B1 SULFONYLPHENYLPYRAZOLE COMPOUNDS USEFUL AS COX-2 INHIBITORS ABBOTT LAB (US) 2004-05-26 EP disclosed
US-6472416-B1 Sulfonylphenylpyrazole compounds useful as COX-2 inhibitors ABBOTT LABORATORIES 2002-10-29 US disclosed