SCHEMBL7401213

SCHEMBL7401213

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)O)cc1.CC[C@H](C)Nc1cccc(C(=N)NO)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.40
PRSS1 P07477 8/20 0.37
F2 P00734 3/20 0.37
MMP3 P08254 1/20 0.37
PLG P00747 1/20 0.37
PROC P04070 1/20 0.37
KCNH2 Q12809 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 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
SCHEMBL7403864 0.89 F10 (0.51) F10PRSS1F2PLGPROC
SCHEMBL7410061 0.83 F10 (0.53) F10PRSS1
SCHEMBL7405469 0.82 PRSS1 (0.43) F10PRSS1F2PLGPROC
SCHEMBL6993750 0.82 FPR2 (0.42) F10PRSS1F2KCNH2PRSS2
SCHEMBL7406124 0.82 F10 (0.43) F10PRSS1F2PLGPROC
SCHEMBL6995330 0.81 F10 (0.42) F10PRSS1F2KCNH2PRSS2
SCHEMBL7403786 0.81 F10 (0.50) F10PRSS1F2PLGPROC
SCHEMBL7405372 0.80 PRSS1 (0.54) F10PRSS1F2PLGPROC
SCHEMBL7084793 0.80 F10 (0.41) F10PRSS1F2KCNH2PRSS2
SCHEMBL7076640 0.76 F10 (0.41) F10PRSS1F2KCNH2PRSS2

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
WO-2002030880-A2 N-SUBSTITUTED AMINO ACID DERIVATIVES (FACTOR XA INHIBITORS) MERCK PATENT GMBH (DE) 2002-04-18 WO claimed
WO-2002030880-A2 N-SUBSTITUTED AMINO ACID DERIVATIVES (FACTOR XA INHIBITORS) MERCK PATENT GMBH (DE) 2002-04-18 WO disclosed