SCHEMBL6167255

SCHEMBL6167255

CCOC(=O)[C@H](Cc1cccc(C#N)c1)NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.49
CTSG P08311 4/20 0.49
CMA1 P23946 3/20 0.47
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
PRSS1 P07477 1/20 0.44
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL6166141 0.93 F10 (0.51) F10CTSGCMA1CTSLCTSB
SCHEMBL6163407 0.89 CA2 (0.54) F10CTSLCTSBCTSSCTSK
SCHEMBL6163397 0.89 CA2 (0.54) F10CTSLCTSBCTSSCTSK
SCHEMBL6166070 0.86 NLRP3 (0.46) F10CTSGCMA1CTSLCTSB
SCHEMBL6167436 0.82 USP30 (0.55) CTSGCMA1CTSLCTSBCTSS
Trifluoroacetic Acid SCHEMBL6167612 0.81 F10 (0.63) F10PRSS1
Trifluoroacetic Acid SCHEMBL6167607 0.80 F10 (0.48) F10PRSS1GAARAB9A
Trifluoroacetic Acid SCHEMBL6167616 0.80 F10 (0.48) F10PRSS1GAARAB9A
SCHEMBL6162912 0.79 NLRP3 (0.53) F10CTSGCMA1CTSLCTSB
SCHEMBL6165910 0.79 CA2 (0.51) F10CTSLCTSBCTSSCTSK

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 F10 11/4885CTSG 814/4885CMA1 378/4885

“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.