SCHEMBL17880443

SCHEMBL17880443

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.43
CTSK P43235 10/20 0.42
CTSS P25774 7/20 0.42
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
PLK1 P53350 2/20 0.37
CA2 P00918 1/20 0.37
CYP2D6 P10635 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CCKBR P32239 1/20 0.35
AKT1 P31749 1/20 0.35

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
SCHEMBL17870152 0.91 CTSK (0.49) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL13921025 0.85 CTSK (0.50) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL13921014 0.85 CTSK (0.50) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL17870153 0.82 CTSS (0.42) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL24965950 0.80 CTSK (0.50) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL19401696 0.80 CTSK (0.50) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL17870155 0.79 CTSK (0.47) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL13567291 0.79 CTSS (0.51) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL17880449 0.77 CTSK (0.45) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL17880447 0.77 CTSK (0.52) CAPN1CTSKCTSSCA2

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 CAPN1 2666/4885CTSK 194/4885CTSS 203/4885

“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.