SCHEMBL6166532

SCHEMBL6166532

NN=Cc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.46
F10 P00742 17/20 0.41
ABL1 P00519 1/20 0.41
F2 P00734 8/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
KLK1 P06870 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
SCHEMBL6165384 0.92 F10 (0.50) DEGS1F10ABL1F2
SCHEMBL6164345 0.88 F10 (0.49) F10
SCHEMBL6166356 0.88 F10 (0.49) F10
SCHEMBL6166516 0.83 PRSS1 (0.55) F10F2PRSS1PRSS2PRSS3
SCHEMBL6163523 0.80 F10 (0.44) DEGS1F10F2PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7102864 0.79 F10 (0.60) F10F2PRSS1PRSS2PRSS3
SCHEMBL6167768 0.79 F10 (0.41) DEGS1F10F2PRSS1PRSS2
SCHEMBL6162872 0.78 F10 (0.42) DEGS1F10
SCHEMBL6165201 0.78 F10 (0.42) DEGS1F10
SCHEMBL6165376 0.76 F10 (0.51) DEGS1F10F2PRSS1PRSS2

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 DEGS1 2512/4885F10 11/4885ABL1 1437/4885

“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.