SCHEMBL4214520

SCHEMBL4214520

CNNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.70
CTSK P43235 9/20 0.70
CTSB P07858 4/20 0.70
CTSL P07711 3/20 0.70
AKT1 P31749 1/20 0.60
ACE P12821 1/20 0.60
PPARA Q07869 2/20 0.58
REN P00797 1/20 0.55
ATM Q13315 1/20 0.55
PPARG P37231 1/20 0.55

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
SCHEMBL4214524 1.00 CTSS (0.70) CTSSCTSKCTSBCTSLAKT1
SCHEMBL30279703 0.89 CTSS (0.73) CTSSCTSKCTSBCTSLAKT1
SCHEMBL6163314 0.89 CTSS (0.73) CTSSCTSKCTSBCTSLAKT1
SCHEMBL6163823 0.89 CTSS (0.73) CTSSCTSKCTSBCTSLAKT1
SCHEMBL6163323 0.89 CTSS (0.73) CTSSCTSKCTSBCTSLAKT1
SCHEMBL7269746 0.88 CTSS (0.70) CTSSCTSKCTSBCTSLAKT1
SCHEMBL7554167 0.87 CTSS (0.67) CTSSCTSKCTSBCTSLAKT1
SCHEMBL20669382 0.87 CTSS (0.70) CTSSCTSKCTSBCTSLAKT1
SCHEMBL8951298 0.86 CTSS (0.73) CTSSCTSKCTSBCTSLAKT1
SCHEMBL4216378 0.86 CTSK (0.65) CTSSCTSKCTSBCTSLAKT1

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-20090105091-A1 Modified Amino Acids TECHNISCHE UNIVERSITAT WIEN (AT) 2009-04-23 US disclosed
EP-1989180-A1 MODIFIED AMINO ACIDS Technische Universität Wien (AT) 2008-11-12 EP disclosed
WO-2007095980-A1 MODIFIED AMINO ACIDS TECHNISCHE UNIVERSITÄT WIEN (AT) 2007-08-30 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 (1 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-20090105091-A1 Modified Amino Acids SLC1A2, NR1H4, OXGR1 CTSS 4519/4885CTSK 4083/4885CTSB 4458/4885

“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.