SCHEMBL6166070

SCHEMBL6166070

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.46
CTSB P07858 8/20 0.45
CTSS P25774 5/20 0.45
CTSK P43235 5/20 0.45
CTSL P07711 5/20 0.45
CTSV O60911 1/20 0.45
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
F10 P00742 3/20 0.42
ALDH1A1 P00352 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL6166141 0.91 F10 (0.51) NLRP3CTSBCTSSCTSKCTSL
SCHEMBL6167255 0.86 F10 (0.49) CTSBCTSSCTSKCTSLGAA
SCHEMBL6165910 0.81 CA2 (0.51) CTSBCTSSCTSKCTSLF10
SCHEMBL6165905 0.81 CA2 (0.51) CTSBCTSSCTSKCTSLF10
Trifluoroacetic Acid SCHEMBL6165345 0.81 F10 (0.54) F10
SCHEMBL6163407 0.81 CA2 (0.54) CTSBCTSSCTSKCTSLF10
SCHEMBL6163397 0.81 CA2 (0.54) CTSBCTSSCTSKCTSLF10
SCHEMBL6164079 0.81 USP30 (0.48) NLRP3CTSBCTSSCTSKCTSL
SCHEMBL6162912 0.81 NLRP3 (0.53) NLRP3CTSBCTSSCTSKCTSL
SCHEMBL6167436 0.80 USP30 (0.55) NLRP3CTSBCTSSCTSKCTSL

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 NLRP3 764/4885CTSB 790/4885CTSS 354/4885

“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.