SCHEMBL4446609

SCHEMBL4446609

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)N2CCC3OCC(=O)C32)cc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.76
CTSS P25774 7/20 0.56
CTSV O60911 4/20 0.56
CTSL P07711 3/20 0.56
ACE2 Q9BYF1 1/20 0.39
CYP3A4 P08684 2/20 0.38
UGCG Q16739 2/20 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
SCHEMBL5254467 1.00 CTSK (0.76) CTSKCTSSCTSVCTSLACE2
SCHEMBL13677277 1.00 CTSK (0.76) CTSKCTSSCTSVCTSLACE2
SCHEMBL4459563 0.94 CTSK (0.65) CTSKCTSSCTSVCTSLACE2
SCHEMBL13677167 0.92 CTSK (0.77) CTSKCTSSCTSVCTSL
SCHEMBL4454127 0.92 CTSK (0.77) CTSKCTSSCTSVCTSL
SCHEMBL6803839 0.92 CTSK (0.77) CTSKCTSSCTSVCTSL
SCHEMBL4457762 0.92 CTSK (0.77) CTSKCTSSCTSVCTSL
SCHEMBL4456345 0.91 CTSK (0.63) CTSKCTSSCTSVCTSLACE2
SCHEMBL5256885 0.91 CTSK (0.76) CTSKCTSSCTSVCTSL
SCHEMBL4448492 0.91 CTSK (0.76) CTSKCTSSCTSVCTSL

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 62/4885CTSS 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.