SCHEMBL6166141

SCHEMBL6166141

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.51
NLRP3 Q96P20 1/20 0.47
CTSB P07858 3/20 0.47
CTSS P25774 3/20 0.47
CTSK P43235 3/20 0.47
CTSL P07711 2/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
CTSG P08311 1/20 0.46
CMA1 P23946 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PRSS1 P07477 2/20 0.45
PLG P00747 1/20 0.43
PROC P04070 1/20 0.43
KLK1 P06870 1/20 0.43
USP30 Q70CQ3 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
SCHEMBL6167255 0.93 F10 (0.49) F10CTSBCTSSCTSKCTSL
SCHEMBL6166070 0.91 NLRP3 (0.46) F10NLRP3CTSBCTSSCTSK
SCHEMBL6163407 0.90 CA2 (0.54) F10CTSBCTSSCTSKCTSL
SCHEMBL6163397 0.90 CA2 (0.54) F10CTSBCTSSCTSKCTSL
SCHEMBL6167436 0.89 USP30 (0.55) NLRP3CTSBCTSSCTSKCTSL
SCHEMBL6162912 0.86 NLRP3 (0.53) F10NLRP3CTSBCTSSCTSK
SCHEMBL3174522 0.83 GAA (0.60) NLRP3CTSBCTSSCTSKCTSL
Trifluoroacetic Acid SCHEMBL6166133 0.80 F10 (0.64) F10PRSS1PLG
SCHEMBL6166826 0.80 L3MBTL1 (0.57) NLRP3CTSBCTSSCTSKCTSL
SCHEMBL6166823 0.80 L3MBTL1 (0.57) 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 F10 11/4885NLRP3 764/4885CTSB 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.