SCHEMBL6622652

SCHEMBL6622652

CS(=O)(=O)c1ccc(-c2[nH]nc(OCC(=O)c3cccs3)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.41
PTGS1 P23219 5/20 0.41
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ABL1 P00519 1/20 0.37

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
SCHEMBL6619195 0.85 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL7542111 0.80 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6619309 0.80 PTGS2 (0.43) PTGS2PTGS1HPGDMAPT
SCHEMBL7536789 0.80 PTGS2 (0.43) PTGS2PTGS1HPGDMAPT
SCHEMBL7489424 0.78 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL7566830 0.77 PTGS2 (0.47) PTGS2PTGS1HPGDMAPT
SCHEMBL7482340 0.73 PTGS2 (0.52) PTGS2PTGS1MAPT
SCHEMBL6470454 0.73 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6620206 0.73 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6623410 0.71 CHRNA7 (0.43) 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