SCHEMBL6163399

SCHEMBL6163399

CCCS(=O)(=O)N[C@@H](Cc1cccc(C(=N)N)c1)C(=O)Oc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLG P00747 9/20 0.42
F10 P00742 11/20 0.41
PRSS1 P07477 4/20 0.41
HPN P05981 1/20 0.41
F2 P00734 5/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
PLAU P00749 3/20 0.40
ST14 Q9Y5Y6 2/20 0.40
PLAT P00750 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL6164437 0.82 F10 (0.51) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6166216 0.76 F10 (0.53) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6164347 0.72 F10 (0.58) PLGF10PRSS1F2PRSS2
Trifluoroacetic Acid SCHEMBL6167095 0.72 F10 (0.54) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6171857 0.72 F2 (0.60) PLGF10PRSS1F2PLAT
Trifluoroacetic Acid SCHEMBL6174580 0.71 F10 (0.52) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6172396 0.71 F2 (0.51) F10PRSS1F2
Trifluoroacetic Acid SCHEMBL6164993 0.70 F10 (0.54) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6170322 0.70 CTSS (0.52) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6170713 0.70 F2 (0.43) PLGF10PRSS1F2ITGB3

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
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed