SCHEMBL4216552

SCHEMBL4216552

CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.56
▸ CTSK P43235 2/20 0.56
▸ CTSL P07711 2/20 0.51
▸ CTSB P07858 1/20 0.51
▸ CAPN1 P07384 1/20 0.48
▸ PSENEN Q9NZ42 1/20 0.47
▸ CTSD P07339 3/20 0.46
▸ REN P00797 2/20 0.45
▸ CA2 P00918 1/20 0.44
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42

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
SCHEMBL4216537 1.00 CTSS (0.56) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL4216541 1.00 CTSS (0.56) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL9540730 0.88 CTSS (0.61) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL9540722 0.88 CTSS (0.61) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL22267923 0.86 CTSS (0.68) CTSSCTSKPSENENCA2
SCHEMBL19061547 0.85 CTSK (0.67) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL4225806 0.85 CTSK (0.67) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL4223929 0.84 CTSD (0.63) CTSKCTSBPSENENCTSDREN
SCHEMBL4223933 0.84 CTSD (0.63) CTSKCTSBPSENENCTSDREN
SCHEMBL4223930 0.84 CTSD (0.63) CTSKCTSBPSENENCTSDREN

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 8 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
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.

Send feedback