SCHEMBL4451620

SCHEMBL4451620

O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC2OCC(=O)C21)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.52
CTSS P25774 4/20 0.50
CTSV O60911 3/20 0.50
CTSL P07711 3/20 0.50
ACE P12821 4/20 0.42
PREP P48147 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TSHR P16473 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
USP30 Q70CQ3 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
SCHEMBL13677312 1.00 CTSK (0.52) CTSKCTSSCTSVCTSLACE
SCHEMBL4454184 1.00 CTSK (0.52) CTSKCTSSCTSVCTSLACE
SCHEMBL4457945 0.95 CTSK (0.58) CTSKCTSSCTSVCTSLACE
SCHEMBL13677171 0.95 CTSK (0.58) CTSKCTSSCTSVCTSLACE
SCHEMBL4456064 0.95 CTSK (0.58) CTSKCTSSCTSVCTSLACE
SCHEMBL4458894 0.90 CTSK (0.57) CTSKCTSSCTSVCTSLACE
SCHEMBL4451222 0.89 CTSK (0.51) CTSKCTSSCTSVCTSLACE
SCHEMBL5257600 0.89 CTSK (0.58) CTSKCTSSCTSVCTSLITGB3
SCHEMBL6798797 0.89 CTSS (0.58) CTSKCTSSCTSVCTSLACE
SCHEMBL5253359 0.88 CTSK (0.57) CTSKCTSSCTSVCTSLPREP

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 3 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
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 62/4885CTSS 39/4885CTSV 27/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 CTSK 45/4885CTSS 21/4885CTSV 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.