SCHEMBL6164003

SCHEMBL6164003

CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cccnc2-c2cccc(C=NN)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.60
F2 P00734 12/20 0.60
PRSS1 P07477 12/20 0.60
PRSS2 P07478 12/20 0.60
PRSS3 P35030 12/20 0.60
BCAT2 O15382 1/20 0.41
PABPC1 P11940 1/20 0.40
EIF4H Q15056 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL6163108 0.91 F10 (0.58) F10F2PRSS1PRSS2PRSS3
SCHEMBL6162167 0.87 F10 (0.51) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6166037 0.87 F10 (0.74) F10F2PRSS1PRSS2PRSS3
SCHEMBL6164025 0.84 F10 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL6164000 0.83 F10 (0.85) F10F2PRSS1PRSS2PRSS3
SCHEMBL6166467 0.82 F10 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL6164926 0.81 F10 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL6164854 0.80 F2 (0.46) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6163961 0.79 F10 (0.61) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7101886 0.78 F10 (0.87) F10F2PRSS1PRSS2PRSS3

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 7 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 claimed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP claimed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO claimed
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI F10 11/4885F2 1/4885PRSS1 43/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.