SCHEMBL4455981

SCHEMBL4455981

CC(C)C[C@H](OCc1ccccc1)C(=O)N1CCCC2OCC(=O)C21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.46
CTSL P07711 8/20 0.46
CTSS P25774 7/20 0.46
CTSV O60911 3/20 0.46
ACE2 Q9BYF1 2/20 0.42
PREP P48147 2/20 0.39
ACE P12821 3/20 0.39
CTSB P07858 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
SCHEMBL13677146 1.00 CTSK (0.46) CTSKCTSLCTSSCTSVACE2
SCHEMBL4452884 0.94 CTSK (0.51) CTSKCTSLCTSSCTSVCTSB
SCHEMBL13677133 0.94 CTSK (0.51) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6800368 0.83 CTSK (0.64) CTSKCTSLCTSSCTSVPREP
SCHEMBL13677149 0.83 CTSK (0.38) CTSKCTSLCTSSCTSVCTSB
SCHEMBL13677145 0.82 ACE2 (0.43) CTSKCTSLCTSSACE2PREP
SCHEMBL4444637 0.82 ACE2 (0.43) CTSKCTSLCTSSACE2PREP
SCHEMBL13677199 0.82 CTSS (0.62) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4451249 0.82 CTSS (0.62) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4450248 0.81 ACE2 (0.42) CTSKCTSLCTSSACE2PREP

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 62/4885CTSL 23/4885CTSS 39/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 CTSK 45/4885CTSL 16/4885CTSS 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.