SCHEMBL4228927

SCHEMBL4228927

COC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.57
CTSK P43235 4/20 0.57
CTSL P07711 2/20 0.57
CTSB P07858 1/20 0.57
REN P00797 10/20 0.54
AKT1 P31749 1/20 0.51
ATM Q13315 1/20 0.50
KMT2A Q03164 1/20 0.50
ACE P12821 1/20 0.50

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
SCHEMBL4216395 0.97 CTSS (0.57) CTSSCTSKCTSLCTSBREN
SCHEMBL4231466 0.92 CTSS (0.59) CTSSCTSKCTSLCTSBREN
SCHEMBL4231469 0.92 CTSS (0.59) CTSSCTSKCTSLCTSBREN
SCHEMBL13878742 0.89 CTSK (0.56) CTSSCTSKCTSLCTSBREN
SCHEMBL4218853 0.89 CTSS (0.58) CTSSCTSKCTSLCTSBREN
SCHEMBL4219024 0.89 CTSS (0.58) CTSSCTSKCTSLCTSBREN
SCHEMBL4219131 0.89 CTSS (0.58) CTSSCTSKCTSLCTSBREN
SCHEMBL13878740 0.87 CTSK (0.55) CTSSCTSKCTSLCTSBREN
SCHEMBL13878738 0.86 CTSK (0.52) CTSSCTSKCTSLCTSBREN
SCHEMBL29477237 0.86 CTSK (0.67) CTSSCTSKCTSLCTSBAKT1

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 7 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
US-20090105091-A1 Modified Amino Acids TECHNISCHE UNIVERSITAT WIEN (AT) 2009-04-23 US disclosed
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
EP-1826199-A1 Modified amino acids Technische Universität Wien (AT) 2007-08-29 EP disclosed
EP-1826199-A1 Modified amino acids Technische Universität Wien (AT) 2007-08-29 EP 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 4083/4885CTSL 4417/4885

“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.