SCHEMBL17880463

SCHEMBL17880463

CNC1(C)CCCC=CCCCC(C)(C(=O)N[C@@H](CCC(=O)O)C(=O)NC(C(=O)NCC(=O)NC(CC(=O)O)C(N)=O)C(C)C)NC(=O)[C@H](N[C@H](C=O)CC(C)C)NC(=O)[C@H](N[C@H](C=O)CC(C)C)NC(=O)[C@H](N[C@H](C=O)CCCNC(=N)N)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KRAS P01116 6/20 0.48
EIF4E P06730 3/20 0.46
EIF4EBP1 Q13541 3/20 0.46
MCL1 Q07820 6/20 0.46
MAFG O15525 1/20 0.46
ESR1 P03372 1/20 0.46
YWHAZ P63104 1/20 0.43

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
SCHEMBL17880423 0.97 KRAS (0.45) KRASEIF4EEIF4EBP1MCL1MAFG
SCHEMBL17880418 0.75 MDM2 (0.54) EIF4EEIF4EBP1ESR1
SCHEMBL13610980 0.71 ESR1 (0.38) KRASEIF4EEIF4EBP1MCL1ESR1
SCHEMBL17884290 0.69 MAFG (0.42) KRASEIF4EEIF4EBP1MCL1MAFG
SCHEMBL10063472 0.69 ESR1 (0.58) KRASEIF4EEIF4EBP1MCL1ESR1
SCHEMBL13227599 0.68 MDM2 (0.49) EIF4EEIF4EBP1ESR1
SCHEMBL13575404 0.66 ESR1 (0.42) KRASEIF4EEIF4EBP1MCL1ESR1
SCHEMBL17880461 0.64 KEAP1 (0.37)
SCHEMBL20414054 0.63 KRAS (0.45) KRASMCL1MAFGESR1
SCHEMBL6035213 0.63 TFPI (0.59) YWHAZ

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 KRAS 887/4885EIF4E 2518/4885EIF4EBP1 1910/4885

“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.