SCHEMBL17880447

SCHEMBL17880447

CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC/C=C\CCNC(=O)[C@@H](C)CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.52
CTSS P25774 2/20 0.52
CAPN1 P07384 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
CNR1 P21554 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CXCR3 P49682 1/20 0.40

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
SCHEMBL17884288 0.90 CTSK (0.52) CTSKCTSSCAPN1CA1CA2
SCHEMBL18879598 0.86 CTSK (0.57) CTSKCTSSCAPN1CA1CA2
SCHEMBL18875926 0.85 CTSK (0.49) CTSKCTSSCAPN1CA1CA2
SCHEMBL16572098 0.85 CTSK (0.55) CTSKCTSSCAPN1SIRT6SIRT1
SCHEMBL18875929 0.85 CTSK (0.49) CTSKCTSSCAPN1CA1CA2
SCHEMBL17880449 0.84 CTSK (0.45) CTSKCTSSCAPN1CA1CA2
SCHEMBL18875923 0.84 CTSK (0.58) CTSKCTSSCAPN1CA1CA2
SCHEMBL17898638 0.84 CTSK (0.48) CTSKCTSSCAPN1CA1CA2
SCHEMBL15683032 0.83 CA1 (0.49) CTSKCTSSCAPN1CA1CA2
SCHEMBL16521489 0.82 MEN1 (0.55) CTSKCTSSCAPN1CA1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-30 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-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES QPCT, PTMS, MAX CTSK 194/4885CTSS 203/4885CAPN1 2666/4885

“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.