SCHEMBL6162912

SCHEMBL6162912

COC(=O)[C@H](Cc1cccc(C#N)c1)NC(=O)c1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.53
CTSB P07858 9/20 0.51
CTSS P25774 8/20 0.51
CTSK P43235 7/20 0.51
CTSL P07711 5/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
CTSG P08311 1/20 0.47
CMA1 P23946 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PIN1 Q13526 1/20 0.46
PTPN1 P18031 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44
CTSV O60911 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
SCHEMBL3174522 0.87 GAA (0.60) NLRP3CTSBCTSSCTSKCTSL
SCHEMBL6166141 0.86 F10 (0.51) NLRP3CTSBCTSSCTSKCTSL
SCHEMBL6167436 0.84 USP30 (0.55) NLRP3CTSBCTSSCTSKCTSL
SCHEMBL6166826 0.84 L3MBTL1 (0.57) NLRP3CTSBCTSSCTSKCTSL
SCHEMBL6166823 0.84 L3MBTL1 (0.57) NLRP3CTSBCTSSCTSKCTSL
Trifluoroacetic Acid SCHEMBL6164347 0.82 F10 (0.58) F2F10PRSS1
SCHEMBL6166070 0.81 NLRP3 (0.46) NLRP3CTSBCTSSCTSKCTSL
Trifluoroacetic Acid SCHEMBL6164351 0.80 CTSB (0.43) CTSBCTSSCTSKCTSLGAA
Trifluoroacetic Acid SCHEMBL6164344 0.80 CTSB (0.43) CTSBCTSSCTSKCTSLGAA
SCHEMBL6167255 0.79 F10 (0.49) CTSBCTSSCTSKCTSLGAA

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.