SCHEMBL6164079

SCHEMBL6164079

COC(=O)[C@H](Cc1cccc(C#N)c1)NC(=O)c1ccc(-c2cc(F)ccc2S(=O)(=O)NC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 14/20 0.48
CTSL P07711 3/20 0.44
CTSB P07858 3/20 0.44
CTSS P25774 3/20 0.44
CTSK P43235 3/20 0.44
NLRP3 Q96P20 1/20 0.43
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6167436 0.90 USP30 (0.55) USP30CTSLCTSBCTSSCTSK
SCHEMBL6166070 0.81 NLRP3 (0.46) CTSLCTSBCTSSCTSKNLRP3
SCHEMBL6165905 0.80 CA2 (0.51) CTSLCTSBCTSSCTSK
SCHEMBL6165910 0.80 CA2 (0.51) CTSLCTSBCTSSCTSK
SCHEMBL6163562 0.80 USP30 (0.55) USP30CTSLCTSBCTSSCTSK
SCHEMBL6166654 0.80 USP30 (0.54) USP30CTSLCTSBCTSSCTSK
SCHEMBL6166141 0.80 F10 (0.51) USP30CTSLCTSBCTSSCTSK
SCHEMBL6162912 0.78 NLRP3 (0.53) CTSLCTSBCTSSCTSKNLRP3
SCHEMBL3174522 0.76 GAA (0.60) CTSLCTSBCTSSCTSKNLRP3
SCHEMBL6165054 0.76 F10 (0.47) CTSLCTSBCTSSCTSKRAB9A

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 4394/4885CTSL 384/4885CTSB 790/4885

“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.