SCHEMBL6621179

SCHEMBL6621179

Cc1c(-c2ccc(F)cc2)oc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn12

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.59
PTGS1 P23219 1/20 0.56

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
SCHEMBL6618054 1.00 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6624220 0.89 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL6619278 0.86 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL6626005 0.84 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6620618 0.84 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL6622901 0.84 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL6622488 0.84 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL6622126 0.82 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7669807 0.82 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6619751 0.80 PTGS2 (0.54) PTGS2

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