SCHEMBL4224899

SCHEMBL4224899

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.55
CTSK P43235 4/20 0.55
CTSL P07711 2/20 0.55
CTSB P07858 2/20 0.55
CCKAR P32238 2/20 0.49
CCKBR P32239 2/20 0.49
AKT1 P31749 1/20 0.49
KMT2A Q03164 1/20 0.49
ACE P12821 1/20 0.48
SCN9A Q15858 1/20 0.48

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
SCHEMBL4219003 1.00 CTSS (0.55) CTSSCTSKCTSLCTSBCCKAR
SCHEMBL4214513 1.00 CTSS (0.55) CTSSCTSKCTSLCTSBCCKAR
SCHEMBL20630880 0.96 CTSS (0.53) CTSSCTSKCTSLCTSBCCKAR
SCHEMBL4224327 0.91 KMT2A (0.47) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL4220175 0.91 KMT2A (0.47) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL4216654 0.91 KMT2A (0.47) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL19967948 0.91 CTSS (0.50) CTSSCTSKCTSLCTSBCCKAR
SCHEMBL13878600 0.89 CTSS (0.59) CTSSKMT2A
SCHEMBL28778560 0.87 CTSS (0.56) CTSSCTSKCTSLCTSBCCKAR
SCHEMBL27733231 0.87 CTSS (0.56) CTSSCTSKCTSLCTSBCCKAR

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 5 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-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.