SCHEMBL6179772

SCHEMBL6179772

CCOC(=O)c1csc(C(OC(=O)C(F)(F)F)C(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c2cccc(C(=N)N)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.47
PRSS1 P07477 12/20 0.45
PRSS2 P07478 8/20 0.45
PRSS3 P35030 8/20 0.45
F2 P00734 6/20 0.45
PLG P00747 2/20 0.43
PROC P04070 2/20 0.43
KLK1 P06870 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
SCHEMBL6162881 0.91 F10 (0.39) F10PRSS1PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6179765 0.82 F10 (0.52) F10PRSS1PRSS2PRSS3F2
SCHEMBL7107211 0.77 PRSS1 (0.44) F10PRSS1PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL7107447 0.74 PTPRB (0.46) F10PRSS1PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6162879 0.72 PTPRB (0.46) F10PRSS1PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL7107207 0.72 PTPRB (0.46) F10PRSS1PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6167612 0.71 F10 (0.63) F10PRSS1PRSS2PRSS3F2
SCHEMBL6162409 0.70 F10 (0.61) F10PRSS1PRSS2PRSS3F2
SCHEMBL7107451 0.68 PRSS1 (0.35) F10PRSS1PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6166133 0.68 F10 (0.64) F10PRSS1PRSS2PRSS3F2

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