SCHEMBL6167436

SCHEMBL6167436

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 12/20 0.55
CTSG P08311 1/20 0.46
CMA1 P23946 1/20 0.46
NLRP3 Q96P20 1/20 0.46
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL6164079 0.90 USP30 (0.48) USP30CTSGCMA1NLRP3CTSL
SCHEMBL6166141 0.89 F10 (0.51) USP30CTSGCMA1NLRP3CTSL
SCHEMBL6162912 0.84 NLRP3 (0.53) CTSGCMA1NLRP3CTSLCTSB
SCHEMBL6167255 0.82 F10 (0.49) CTSGCMA1CTSLCTSBCTSS
SCHEMBL6166435 0.82 USP30 (0.59) USP30
SCHEMBL3174522 0.81 GAA (0.60) CTSGCMA1NLRP3CTSLCTSB
SCHEMBL6166070 0.80 NLRP3 (0.46) CTSGCMA1NLRP3CTSLCTSB
SCHEMBL6163926 0.79 USP30 (0.57) USP30CTSLCTSBCTSSCTSK
SCHEMBL6163407 0.79 CA2 (0.54) CTSLCTSBCTSSCTSK
SCHEMBL6163397 0.79 CA2 (0.54) CTSLCTSBCTSSCTSK

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 USP30 4394/4885CTSG 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.