SCHEMBL4444633

SCHEMBL4444633

O=C(N[C@@H](CSCc1ccccc1)C(=O)N1CCCC2OCC(=O)C21)c1ccsc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.53
CTSL P07711 4/20 0.53
CTSV O60911 4/20 0.53
CTSK P43235 7/20 0.48
ACE P12821 5/20 0.37
ACE2 Q9BYF1 4/20 0.37
TSHR P16473 1/20 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
SCHEMBL13677382 1.00 CTSS (0.53) CTSSCTSLCTSVCTSKACE
SCHEMBL13677352 1.00 CTSS (0.53) CTSSCTSLCTSVCTSKACE
SCHEMBL13677220 0.95 CTSS (0.57) CTSSCTSLCTSVCTSK
SCHEMBL13677389 0.91 CTSS (0.64) CTSSCTSLCTSVCTSKACE
SCHEMBL4449984 0.91 CTSS (0.64) CTSSCTSLCTSVCTSKACE
SCHEMBL13677375 0.91 CTSS (0.64) CTSSCTSLCTSVCTSKACE
SCHEMBL5105216 0.91 CTSS (0.64) CTSSCTSLCTSVCTSKACE
SCHEMBL13677347 0.90 CTSS (0.58) CTSSCTSLCTSVCTSKACE
SCHEMBL13677348 0.86 CTSS (0.54) CTSSCTSLCTSVCTSKACE
SCHEMBL4456169 0.86 CTSS (0.54) CTSSCTSLCTSVCTSKACE

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
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

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 39/4885CTSL 23/4885CTSV 27/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 CTSS 21/4885CTSL 16/4885CTSV 18/4885

“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.