SCHEMBL7600451

SCHEMBL7600451

CC(C)CC(Oc1cccc(C(=N)N)c1)C(=O)Nc1ccc(-c2cccc(S(N)(=O)=O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.52
PRSS1 P07477 6/20 0.52
F2 P00734 1/20 0.48
PLAU P00749 1/20 0.45
HPN P05981 1/20 0.45
CTSK P43235 1/20 0.44
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 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
SCHEMBL7601663 0.94 CA2 (0.48) F10PRSS1F2PLAUHPN
SCHEMBL7600245 0.90 F10 (0.53) F10PRSS1F2PLAUHPN
SCHEMBL7600812 0.86 F10 (0.72) F10PRSS1PRSS2PRSS3
SCHEMBL7118692 0.84 PLAU (0.48) F10PRSS1F2PLAUHPN
SCHEMBL7600785 0.83 CA1 (0.55) F10PRSS1F2PLAUHPN
SCHEMBL7008413 0.82 F10 (0.64) F10PRSS1F2PRSS2PRSS3
SCHEMBL7597733 0.76 F10 (0.73) F10PRSS1PRSS2PRSS3
SCHEMBL7114682 0.76 F10 (0.68) F10PRSS1F2PLAUCA2
SCHEMBL7599312 0.74 F10 (0.71) F10PRSS1PRSS2PRSS3
SCHEMBL7601136 0.74 F10 (0.58) F10PRSS1F2PRSS2PRSS3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257530-A1 AMINOSULFONYLBIPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2002-11-20 EP claimed
WO-2001062717-A1 AMINOSULFONYLBIPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2001-08-30 WO claimed
EP-1257530-A1 AMINOSULFONYLBIPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2002-11-20 EP disclosed
WO-2001062717-A1 AMINOSULFONYLBIPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2001-08-30 WO disclosed