SCHEMBL25758456

SCHEMBL25758456

CC(C)CC1NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(C)(NC(=O)C(CO)NC(=O)C(C)NC(=O)c2ccccn2)CCCC=CCCC(C)(C(N)=O)NC(=O)C(CC(C)C)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.51
▸ EIF4E P06730 2/20 0.48
▸ EIF4EBP1 Q13541 2/20 0.48
▸ MDM2 Q00987 5/20 0.47
▸ MDM4 O15151 4/20 0.47
▸ PRKAR2A P13861 8/20 0.46
▸ PRKAR2B P31323 6/20 0.46
▸ PCSK9 Q8NBP7 1/20 0.46
▸ ESR2 Q92731 1/20 0.43
▸ GHSR Q92847 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
SCHEMBL24155284 0.81 TNFSF11 (0.38) ESR1
SCHEMBL24155488 0.81 CXCR4 (0.40) —
SCHEMBL24155481 0.80 TNFSF11 (0.37) ESR1
SCHEMBL24155857 0.67 VDR (0.45) ESR1
SCHEMBL23295836 0.63 WDR5 (0.55) ESR1EIF4EEIF4EBP1MDM2MDM4
SCHEMBL17880430 0.62 MDM2 (0.78) ESR1EIF4EEIF4EBP1MDM2MDM4
SCHEMBL20563805 0.62 WDR5 (0.56) ESR1EIF4EEIF4EBP1MDM2MDM4
SCHEMBL20564489 0.62 WDR5 (0.75) ESR1EIF4EEIF4EBP1MDM2MDM4
SCHEMBL15005758 0.62 WDR5 (0.78) EIF4EEIF4EBP1MDM2MDM4
SCHEMBL23682876 0.62 WDR5 (0.78) EIF4EEIF4EBP1MDM2MDM4

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-20230210939-A1 CYCLIC PEPTIDE COMPOUNDS AND METHODS OF USE VITEK, MICHAEL PETER 2023-07-06 — — 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-20230210939-A1 CYCLIC PEPTIDE COMPOUNDS AND METHODS OF USE VIP, NPPA, IAPP ESR1 3999/4885EIF4E 3230/4885EIF4EBP1 2213/4885

“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