SCHEMBL4450248

SCHEMBL4450248

CC(C)C[C@H](OCc1ccccc1)C(=O)N1CCCC2NCC(=O)C21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.42
ACE P12821 4/20 0.42
CTSK P43235 7/20 0.41
CTSL P07711 6/20 0.41
CTSS P25774 4/20 0.41
PREP P48147 2/20 0.40
CTSB P07858 2/20 0.38
ERAP2 Q6P179 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PSMB5 P28074 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
SCHEMBL13677148 1.00 ACE2 (0.42) ACE2ACECTSKCTSLCTSS
SCHEMBL13677134 0.94 CTSK (0.39) ACE2ACECTSKCTSLCTSS
SCHEMBL13677153 0.84 PSMB5 (0.37) CTSKCTSLCTSSCTSBPSMB5
SCHEMBL13677145 0.83 ACE2 (0.43) ACE2ACECTSKCTSLCTSS
SCHEMBL4444637 0.83 ACE2 (0.43) ACE2ACECTSKCTSLCTSS
SCHEMBL4444844 0.82 PSMB5 (0.38) CTSKCTSLCTSSCTSBPSMB5
SCHEMBL13677143 0.82 PSMB5 (0.38) CTSKCTSLCTSSCTSBPSMB5
SCHEMBL13677146 0.81 CTSK (0.46) ACE2ACECTSKCTSLCTSS
SCHEMBL4455981 0.81 CTSK (0.46) ACE2ACECTSKCTSLCTSS
SCHEMBL13677147 0.81 ACE2 (0.42) ACE2ACECTSKCTSLCTSS

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 507/4885ACE 371/4885CTSK 62/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 ACE2 830/4885ACE 267/4885CTSK 45/4885

“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.