SCHEMBL7536004

SCHEMBL7536004

CCn1nc(OCC(=O)C(C)(C)C)c(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.50
PTGS1 P23219 3/20 0.40

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
SCHEMBL7592378 1.00 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6622930 0.92 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7534850 0.91 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7674454 0.91 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL7673215 0.89 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL7686773 0.89 TSHR (0.39) PTGS2PTGS1
SCHEMBL7670052 0.88 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7670565 0.83 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7536789 0.82 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7601002 0.81 PTGS2 (0.46) 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
US-6472416-B1 Sulfonylphenylpyrazole compounds useful as COX-2 inhibitors ABBOTT LABORATORIES 2002-10-29 US disclosed
EP-1206474-A1 SULFONYLPHENYLPYRAZOLE COMPOUNDS USEFUL AS COX-2 INHIBITORS ABBOTT LABORATORIES (US) 2002-05-22 EP disclosed
WO-2001016138-A1 SULFONYLPHENYLPYRAZOLE COMPOUNDS USEFUL AS COX-2 INHIBITORS ABBOTT LABORATORIES (US) 2001-03-08 WO disclosed