SCHEMBL17880452

SCHEMBL17880452

COC(=O)[C@H](C/C=C\CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.49
CTSS P25774 3/20 0.45
CTSL P07711 2/20 0.45
CTSB P07858 1/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CAPN1 P07384 1/20 0.40
CYP2D6 P10635 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
KLK5 Q9Y337 1/20 0.39

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
SCHEMBL17880416 1.00 CTSK (0.49) CTSKCTSSCTSLCTSBNFKB1
SCHEMBL17884307 0.94 CTSK (0.54) CTSKCTSSCTSLCTSBNFKB1
SCHEMBL16330414 0.94 CTSK (0.54) CTSKCTSSCTSLCTSBNFKB1
SCHEMBL16330411 0.90 CTSK (0.48) CTSKCTSSCTSLCTSBNFKB1
SCHEMBL28690502 0.87 CTSK (0.48) CTSKCTSSCTSLCTSBNFKB1
SCHEMBL28690504 0.87 CTSK (0.48) CTSKCTSSCTSLCTSBNFKB1
SCHEMBL13405217 0.84 CTSK (0.48) CTSKCTSSCTSLCTSBNFKB1
SCHEMBL7545891 0.84 CTSK (0.48) CTSKCTSSCTSLCTSBNFKB1
SCHEMBL28608304 0.83 CTSK (0.48) CTSKCTSSCTSLCTSBNFKB1
SCHEMBL1583887 0.83 CTSK (0.49) CTSKCTSSCTSLCTSBNFKB1

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 203/4885CTSL 265/4885

“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.