SCHEMBL6166823

SCHEMBL6166823

COC(=O)C(Cc1cccc(C#N)c1)NC(=O)c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
NLRP3 Q96P20 1/20 0.56
GAA P10253 1/20 0.54
RAB9A P51151 1/20 0.54
CTSB P07858 9/20 0.53
CTSS P25774 6/20 0.53
CTSL P07711 5/20 0.53
CTSK P43235 5/20 0.53
CTSG P08311 1/20 0.51
CMA1 P23946 1/20 0.51
PIN1 Q13526 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CTSV O60911 1/20 0.45

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
SCHEMBL6166826 1.00 L3MBTL1 (0.57) L3MBTL1NLRP3GAARAB9ACTSB
SCHEMBL3174522 0.90 GAA (0.60) NLRP3GAARAB9ACTSBCTSS
SCHEMBL6162912 0.84 NLRP3 (0.53) L3MBTL1NLRP3GAARAB9ACTSB
SCHEMBL6166141 0.80 F10 (0.51) NLRP3GAARAB9ACTSBCTSS
SCHEMBL11925979 0.80 GAA (0.60) L3MBTL1NLRP3GAARAB9ACTSB
SCHEMBL6166070 0.78 NLRP3 (0.46) L3MBTL1NLRP3GAARAB9ACTSB
SCHEMBL6167436 0.78 USP30 (0.55) NLRP3GAARAB9ACTSBCTSS
SCHEMBL23279751 0.78 ACE (0.58) CTSBCTSSCTSLCTSKPIN1
SCHEMBL6163123 0.78 CTSS (0.58) NLRP3CTSBCTSSCTSLCTSK
SCHEMBL5926429 0.77 HDAC1 (0.58) GAARAB9AHDAC1HDAC6ALDH1A1

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 L3MBTL1 3939/4885NLRP3 764/4885GAA 815/4885

“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.