SCHEMBL17880429

SCHEMBL17880429

CN[C@]1(C)CCCCCCC=CCCC[C@@](C)(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC1=O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 13/20 0.71
MDM4 O15151 10/20 0.71
EIF4E P06730 1/20 0.56
EIF4EBP1 Q13541 1/20 0.56
ESR1 P03372 4/20 0.54
ESR2 Q92731 1/20 0.54
PCSK9 Q8NBP7 1/20 0.52
ACE2 Q9BYF1 1/20 0.52

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
SCHEMBL17880430 0.92 MDM2 (0.78) MDM2MDM4EIF4EEIF4EBP1ESR1
SCHEMBL17884324 0.87 MDM2 (0.71) MDM2MDM4EIF4EEIF4EBP1PCSK9
SCHEMBL29468183 0.80 MDM2 (0.93) MDM2MDM4PCSK9
SCHEMBL17880418 0.80 MDM2 (0.54) MDM2MDM4EIF4EEIF4EBP1ESR1
SCHEMBL15183813 0.79 MDM2 (0.66) MDM2MDM4EIF4EEIF4EBP1ESR1
SCHEMBL19406734 0.75 MDM2 (0.67) MDM2MDM4EIF4EEIF4EBP1PCSK9
SCHEMBL16167598 0.74 MDM2 (0.68) MDM2MDM4EIF4EEIF4EBP1ESR1
SCHEMBL29972035 0.74 MDM2 (0.72) MDM2MDM4ESR1ESR2PCSK9
SCHEMBL12297512 0.73 MDM2 (0.58) MDM2MDM4EIF4EEIF4EBP1ESR1
SCHEMBL12297508 0.73 MDM2 (0.58) MDM2MDM4EIF4EEIF4EBP1ESR1

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 MDM2 473/4885MDM4 641/4885EIF4E 2518/4885

“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.