SCHEMBL4459112

SCHEMBL4459112

CC(CCNC(=O)c1ccccc1)CC(=O)N1CCCC2OCC(=O)C21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.50
CTSL P07711 6/20 0.50
CTSV O60911 5/20 0.50
CTSK P43235 5/20 0.50
DPP4 P27487 5/20 0.43
PREP P48147 2/20 0.41
FAP Q12884 1/20 0.41
CTSB P07858 1/20 0.40
ACE P12821 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL4451610 0.94 CTSS (0.55) CTSSCTSLCTSVCTSKDPP4
SCHEMBL7014847 0.91 CTSK (0.44) CTSSCTSLCTSVCTSKDPP4
SCHEMBL7017832 0.91 RAB9A (0.45) CTSSCTSLCTSVCTSKDPP4
SCHEMBL4451291 0.90 CTSK (0.56) CTSSCTSLCTSVCTSKDPP4
SCHEMBL7020885 0.89 CTSK (0.43) CTSSCTSLCTSVCTSKDPP4
SCHEMBL4457938 0.89 CTSS (0.47) CTSSCTSLCTSVCTSK
SCHEMBL7014652 0.89 CTSK (0.44) CTSSCTSLCTSVCTSKDPP4
SCHEMBL7016550 0.87 CTSK (0.41) CTSSCTSLCTSVCTSKDPP4
SCHEMBL4459397 0.87 DPP4 (0.49) CTSSCTSLCTSVCTSKDPP4
SCHEMBL4457853 0.86 PREP (0.47) CTSSCTSLCTSVCTSKDPP4

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.