SCHEMBL4451932

SCHEMBL4451932

CC(CCNC(=O)c1ccc(OC(F)(F)F)cc1)CC(=O)N1CCC2OCC(=O)C21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.47
PREP P48147 1/20 0.42
CTSS P25774 4/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CTSV O60911 3/20 0.40
CTSL P07711 3/20 0.40
EPHX2 P34913 1/20 0.40
TRPV1 Q8NER1 7/20 0.40
CHRM4 P08173 1/20 0.40
GCGR P47871 3/20 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
SCHEMBL4457853 0.95 PREP (0.47) CTSKPREPCTSSCHRM2CHRM1
SCHEMBL4459438 0.90 CTSK (0.48) CTSKCTSSCTSVCTSL
SCHEMBL7018355 0.90 CTSK (0.52) CTSKCTSSCTSVCTSLEPHX2
SCHEMBL7015308 0.89 CTSK (0.46) CTSKCTSSCTSVCTSL
SCHEMBL4457938 0.87 CTSS (0.47) CTSKCTSSCTSVCTSLCHRM4
SCHEMBL4452668 0.87 CTSK (0.62) CTSKCTSSCTSVCTSL
SCHEMBL4452707 0.87 CTSK (0.50) CTSKCTSSCTSVCTSL
SCHEMBL4452660 0.86 CTSK (0.49) CTSKCTSSCTSVCTSL
SCHEMBL4452610 0.86 CTSK (0.49) CTSKCTSSCTSVCTSL
SCHEMBL4451610 0.86 CTSS (0.55) CTSKCTSSCHRM1CTSVCTSL

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 CTSK 62/4885PREP 33/4885CTSS 39/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 CTSK 45/4885PREP 26/4885CTSS 21/4885

“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.