SCHEMBL13878740

SCHEMBL13878740

C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)OCc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.55
CTSS P25774 4/20 0.55
CTSL P07711 2/20 0.52
CTSB P07858 1/20 0.52
OPRD1 P41143 5/20 0.48
OPRM1 P35372 4/20 0.48
OPRK1 P41145 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
TACR1 P25103 1/20 0.48
REN P00797 3/20 0.48
ATM Q13315 1/20 0.48
KMT2A Q03164 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
SCHEMBL13878742 0.98 CTSK (0.56) CTSKCTSSCTSLCTSBOPRD1
SCHEMBL13878738 0.93 CTSK (0.52) CTSKCTSSCTSLCTSBTACR1
SCHEMBL4225699 0.88 CTSK (0.67) CTSKCTSSCTSLCTSBTACR1
SCHEMBL4216395 0.88 CTSS (0.57) CTSKCTSSCTSLCTSBREN
SCHEMBL4225692 0.88 CTSK (0.67) CTSKCTSSCTSLCTSBTACR1
SCHEMBL29477237 0.88 CTSK (0.67) CTSKCTSSCTSLCTSBTACR1
SCHEMBL4228927 0.87 CTSS (0.57) CTSKCTSSCTSLCTSBREN
SCHEMBL4218853 0.87 CTSS (0.58) CTSKCTSSCTSLCTSBREN
SCHEMBL4219024 0.87 CTSS (0.58) CTSKCTSSCTSLCTSBREN
SCHEMBL4231469 0.85 CTSS (0.59) CTSKCTSSCTSLCTSBREN

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 2 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

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 CTSK 4083/4885CTSS 4519/4885CTSL 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.