SCHEMBL6166516

SCHEMBL6166516

N=C(N)c1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 12/20 0.55
F2 P00734 10/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
F10 P00742 18/20 0.54

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 SCHEMBL7102864 0.94 F10 (0.60) PRSS1F2PRSS2PRSS3F10
SCHEMBL6165376 0.92 F10 (0.51) PRSS1F2PRSS2PRSS3F10
SCHEMBL6164332 0.87 F10 (0.62) PRSS1F2PRSS2PRSS3F10
SCHEMBL6166353 0.87 F10 (0.62) PRSS1F2PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7108045 0.87 F10 (0.54) PRSS1F2PRSS2PRSS3F10
SCHEMBL6978219 0.87 F10 (0.55) PRSS1F2PRSS2PRSS3F10
SCHEMBL6166532 0.83 DEGS1 (0.46) PRSS1F2PRSS2PRSS3F10
SCHEMBL6163514 0.79 F10 (0.54) PRSS1F2PRSS2PRSS3F10
SCHEMBL6979424 0.78 F10 (0.51) PRSS1F2PRSS2PRSS3F10
SCHEMBL7494024 0.78 F10 (0.60) PRSS1F2PRSS2PRSS3F10

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-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 PRSS1 43/4885F2 1/4885PRSS2 95/4885

“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.