SCHEMBL24414067

SCHEMBL24414067

CC(C)(C)OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
MDM4 O15151 2/20 0.45
TP53 P04637 2/20 0.45
MDM2 Q00987 1/20 0.45
CASP3 P42574 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
SCHEMBL29540058 0.99 BACE1 (0.45) BACE1MDM4TP53MDM2CASP3
SCHEMBL15083093 0.99 BACE1 (0.45) BACE1MDM4TP53MDM2CASP3
SCHEMBL6163763 0.92 BACE1 (0.44) BACE1MDM4TP53MDM2CASP3
SCHEMBL25657642 0.92 BACE1 (0.44) BACE1MDM4TP53MDM2CASP3
SCHEMBL6163754 0.92 BACE1 (0.44) BACE1MDM4TP53MDM2CASP3
SCHEMBL24633804 0.92 BACE1 (0.44) BACE1MDM4TP53MDM2CASP3
SCHEMBL25657640 0.91 BACE1 (0.44) BACE1MDM4TP53MDM2CASP3
SCHEMBL21838234 0.91 BACE1 (0.44) BACE1MDM4TP53MDM2CASP3
SCHEMBL21838232 0.91 BACE1 (0.44) BACE1MDM4TP53MDM2CASP3
SCHEMBL24414068 0.86 CASP3 (0.53) MDM4TP53MDM2CASP3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20230026641-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND COMPRISING HIGHLY STERICALLY HINDERED AMINO ACID CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-01-26 US disclosed
WO-2022097540-A1 PEPTIDE SYNTHESIS METHOD FOR SUPPRESSING DEFECT CAUSED BY DIKETOPIPERAZINE FORMATION 中外製薬株式会社 2022-05-12 WO 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 (2 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS BACE1 1136/4885MDM4 441/4885TP53 34/4885
US-20230026641-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND COMPRISING HIGHLY STERICALLY HINDERED AMINO ACID DNPEP, VIP, NPEPPS BACE1 236/4885MDM4 3528/4885TP53 1753/4885

“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.