SCHEMBL17880435

SCHEMBL17880435

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.60
CTSK P43235 3/20 0.60
CA2 P00918 3/20 0.53
PSENEN Q9NZ42 1/20 0.43
KDM4E B2RXH2 3/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CAPN1 P07384 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
SCHEMBL17884306 0.95 CTSS (0.66) CTSSCTSKCA2PSENENKDM4E
SCHEMBL17884325 0.85 CTSS (0.63) CTSSCTSKCA2PSENENKDM4E
SCHEMBL17880434 0.84 CTSK (0.58) CTSSCTSKCA2PSENEN
SCHEMBL13921008 0.83 CTSS (0.67) CTSSCTSKCA2PSENENKDM4E
SCHEMBL13921024 0.83 CTSS (0.67) CTSSCTSKCA2PSENENKDM4E
SCHEMBL17884331 0.83 CTSK (0.63) CTSSCTSKCA2CAPN1
SCHEMBL28969873 0.82 CTSS (0.69) CTSSCTSKCA2PSENENKDM4E
SCHEMBL17880437 0.81 CTSK (0.49) CTSSCTSKCA2CAPN1
SCHEMBL13934344 0.81 CTSK (0.67) CTSSCTSKCA2PSENENCAPN1
SCHEMBL13934284 0.81 CTSK (0.67) CTSSCTSKCA2PSENENCAPN1

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 CTSS 203/4885CTSK 194/4885CA2 3535/4885

“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.