SCHEMBL6163397

SCHEMBL6163397

N#Cc1cccc(C[C@H](NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.54
F10 P00742 7/20 0.54
CA1 P00915 6/20 0.54
CTSL P07711 2/20 0.49
CTSB P07858 2/20 0.49
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
PIN1 Q13526 1/20 0.46

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
SCHEMBL6163407 1.00 CA2 (0.54) CA2F10CA1CTSLCTSB
SCHEMBL6166141 0.90 F10 (0.51) CA2F10CA1CTSLCTSB
SCHEMBL6165905 0.89 CA2 (0.51) CA2F10CA1CTSLCTSB
SCHEMBL6165910 0.89 CA2 (0.51) CA2F10CA1CTSLCTSB
SCHEMBL6167255 0.89 F10 (0.49) F10CTSLCTSBCTSSCTSK
SCHEMBL23279751 0.83 ACE (0.58) CA2CA1CTSLCTSBCTSS
SCHEMBL6166070 0.81 NLRP3 (0.46) CA2F10CA1CTSLCTSB
Trifluoroacetic Acid SCHEMBL6162403 0.80 F10 (0.68) F10
SCHEMBL6167436 0.79 USP30 (0.55) CTSLCTSBCTSSCTSK
SCHEMBL23279644 0.78 GPR132 (0.58) CTSLCTSBCTSSCTSKPIN1

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 CA2 1203/4885F10 11/4885CA1 731/4885

“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.