SCHEMBL4451280

SCHEMBL4451280

CC(C)C[C@H](OCc1ccccc1)C(=O)N1CCCC2SCC(=O)C21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.42
CTSK P43235 8/20 0.40
CTSL P07711 7/20 0.40
CTSS P25774 5/20 0.40
PREP P48147 4/20 0.39
ACE P12821 4/20 0.39
CTSB P07858 3/20 0.38
PSMB5 P28074 1/20 0.37

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
SCHEMBL13677147 1.00 ACE2 (0.42) ACE2CTSKCTSLCTSSPREP
SCHEMBL13677135 0.94 CTSK (0.39) ACE2CTSKCTSLCTSSCTSB
SCHEMBL4459396 0.94 CTSK (0.39) ACE2CTSKCTSLCTSSCTSB
SCHEMBL13677150 0.83 PSMB5 (0.36) CTSKCTSLCTSSCTSBPSMB5
SCHEMBL4444637 0.82 ACE2 (0.43) ACE2CTSKCTSLCTSSPREP
SCHEMBL13677145 0.82 ACE2 (0.43) ACE2CTSKCTSLCTSSPREP
SCHEMBL4450248 0.81 ACE2 (0.42) ACE2CTSKCTSLCTSSPREP
SCHEMBL13677148 0.81 ACE2 (0.42) ACE2CTSKCTSLCTSSPREP
SCHEMBL13677139 0.80 PSMB5 (0.37) CTSKCTSLCTSSCTSBPSMB5
SCHEMBL13677146 0.80 CTSK (0.46) ACE2CTSKCTSLCTSSPREP

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 ACE2 507/4885CTSK 62/4885CTSL 23/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 ACE2 830/4885CTSK 45/4885CTSL 16/4885

“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.