SCHEMBL17880440

SCHEMBL17880440

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 14/20 0.46
▸ CTSS P25774 14/20 0.46
▸ CAPN1 P07384 1/20 0.45
▸ CTSL P07711 2/20 0.42
▸ CTSB P07858 2/20 0.42
▸ AKT1 P31749 1/20 0.36

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
SCHEMBL17870440 0.79 GRN (0.37) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL17870438 0.79 GRN (0.37) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL28969876 0.79 CTSS (0.49) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL17880442 0.77 CTSS (0.42) CTSKCTSSCTSLCTSBAKT1
SCHEMBL17870155 0.76 CTSK (0.47) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL17884298 0.76 KMT2A (0.51) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL17884287 0.76 KMT2A (0.51) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL9995328 0.75 CAPN1 (0.50) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL17884306 0.75 CTSS (0.66) CTSKCTSSCAPN1
SCHEMBL17880447 0.75 CTSK (0.52) CTSKCTSSCAPN1

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.

Send feedback