SCHEMBL4459125

SCHEMBL4459125

Nc1ccc(CC(NC(=O)c2cncc(-c3cccs3)c2)C(=O)N2CCC3OCC(=O)C32)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.48
CTSV O60911 4/20 0.48
CTSL P07711 3/20 0.48
CTSK P43235 8/20 0.46
HPGDS O60760 3/20 0.39
HCK P08631 1/20 0.37
NR2C2 P49116 1/20 0.37
BTK Q06187 1/20 0.37
DRD2 P14416 4/20 0.36
DRD4 P21917 4/20 0.36
HTR2A P28223 4/20 0.36

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
SCHEMBL13677166 0.93 CTSS (0.48) CTSSCTSVCTSLCTSKHPGDS
SCHEMBL4444574 0.93 CTSS (0.48) CTSSCTSVCTSLCTSKHPGDS
SCHEMBL4449536 0.93 CTSS (0.48) CTSSCTSVCTSLCTSKHPGDS
SCHEMBL4453053 0.93 CTSS (0.53) CTSSCTSVCTSLCTSKHPGDS
SCHEMBL4449861 0.93 CTSS (0.49) CTSSCTSVCTSLCTSKHPGDS
SCHEMBL4454201 0.93 CTSS (0.48) CTSSCTSVCTSLCTSKHPGDS
SCHEMBL4451595 0.93 CTSS (0.48) CTSSCTSVCTSLCTSKHPGDS
SCHEMBL4451849 0.93 CTSS (0.48) CTSSCTSVCTSLCTSKHPGDS
SCHEMBL4444629 0.90 CTSS (0.51) CTSSCTSVCTSLCTSKHCK
SCHEMBL4452806 0.90 CTSS (0.46) CTSSCTSVCTSLCTSKHPGDS

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD. (GB) 2009-10-01 US disclosed
US-7425562-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LTD. (GB) 2008-09-16 US disclosed
EP-1362052-B1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2007-03-07 EP disclosed
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 US disclosed
EP-1362052-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
WO-2002057270-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 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 (2 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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 CTSS 39/4885CTSV 27/4885CTSL 23/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 CTSS 21/4885CTSV 18/4885CTSL 16/4885

“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.