SCHEMBL4451166

SCHEMBL4451166

CC(CCNC(=O)c1ccc(-c2cccs2)cc1)CC(=O)N1CCC2OCC(=O)C21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.46
DPP4 P27487 1/20 0.44
PREP P48147 1/20 0.44
CHRM4 P08173 1/20 0.44
CTSS P25774 4/20 0.42
DRD4 P21917 11/20 0.41
DRD2 P14416 9/20 0.41
HTR2A P28223 6/20 0.41
CTSV O60911 3/20 0.41
CTSL P07711 3/20 0.41
MCHR1 Q99705 1/20 0.38

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
SCHEMBL4459397 0.95 DPP4 (0.49) CTSKDPP4PREPCHRM4CTSS
SCHEMBL4451610 0.86 CTSS (0.55) CTSKDPP4CTSSCTSVCTSL
SCHEMBL4452707 0.85 CTSK (0.50) CTSKDPP4CTSSCTSVCTSL
SCHEMBL7018355 0.85 CTSK (0.52) CTSKDPP4CHRM4CTSSCTSV
SCHEMBL4452610 0.85 CTSK (0.49) CTSKCTSSCTSVCTSL
SCHEMBL4452660 0.85 CTSK (0.49) CTSKCTSSCTSVCTSL
SCHEMBL4452668 0.84 CTSK (0.62) CTSKCTSSCTSVCTSL
SCHEMBL4459438 0.83 CTSK (0.48) CTSKDPP4CTSSCTSVCTSL
SCHEMBL4457938 0.83 CTSS (0.47) CTSKCHRM4CTSSCTSVCTSL
SCHEMBL6212350 0.83 DPP4 (0.43) CTSKDPP4PREPCHRM4DRD4

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 CTSK 62/4885DPP4 670/4885PREP 33/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 CTSK 45/4885DPP4 651/4885PREP 26/4885

“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.