SCHEMBL4451610

SCHEMBL4451610

CC(CCNC(=O)c1ccccc1)CC(=O)N1CCC2OCC(=O)C21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.55
CTSL P07711 6/20 0.54
CTSV O60911 6/20 0.54
CTSK P43235 6/20 0.54
CHRM1 P11229 2/20 0.40
CTSB P07858 1/20 0.39
EPHX2 P34913 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DPP4 P27487 1/20 0.38
CHRM5 P08912 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4459112 0.94 CTSS (0.50) CTSSCTSLCTSVCTSKCHRM1
SCHEMBL4457938 0.92 CTSS (0.47) CTSSCTSLCTSVCTSKNPC1
SCHEMBL4452707 0.91 CTSK (0.50) CTSSCTSLCTSVCTSKRAB9A
SCHEMBL4452660 0.91 CTSK (0.49) CTSSCTSLCTSVCTSKNPC1
SCHEMBL4452610 0.91 CTSK (0.49) CTSSCTSLCTSVCTSKNPC1
SCHEMBL4458871 0.90 CTSS (0.46) CTSSCTSLCTSVCTSKNPC1
SCHEMBL4452668 0.90 CTSK (0.62) CTSSCTSLCTSVCTSKNPC1
SCHEMBL4446769 0.89 CTSS (0.44) CTSSCTSLCTSVCTSKNPC1
SCHEMBL7018355 0.89 CTSK (0.52) CTSSCTSLCTSVCTSKEPHX2
SCHEMBL4459438 0.89 CTSK (0.48) CTSSCTSLCTSVCTSKNPC1

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.