SCHEMBL24579398

SCHEMBL24579398

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

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.46
▸ MDM4 O15151 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MDM2 Q00987 1/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ BACE1 P56817 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
SCHEMBL29696746 1.00 CASP3 (0.46) CASP3MDM4TP53MDM2KMT2A
SCHEMBL26126637 1.00 CASP3 (0.46) CASP3MDM4TP53MDM2KMT2A
SCHEMBL4426270 0.91 JAK3 (0.44) CASP3MDM4TP53MDM2KMT2A
SCHEMBL5491568 0.91 JAK3 (0.44) CASP3MDM4TP53MDM2KMT2A
SCHEMBL18429453 0.89 CASP3 (0.47) CASP3MDM4TP53MDM2KMT2A
SCHEMBL25657498 0.89 CASP3 (0.49) CASP3MDM4TP53MDM2KMT2A
SCHEMBL15883749 0.88 CASP3 (0.48) CASP3MDM4TP53MDM2KMT2A
SCHEMBL46349 0.88 MDM4 (0.55) CASP3MDM4TP53MDM2
SCHEMBL15387332 0.88 CASP3 (0.48) CASP3MDM4TP53MDM2KMT2A
SCHEMBL16327179 0.88 CASP3 (0.48) CASP3MDM4TP53MDM2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023195516-A1 PRODUCTION METHOD FOR PEPTIDE COMPOUND 中外製薬株式会社 2023-10-12 — — WO disclosed
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
WO-2022234853-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS 中外製薬株式会社 2022-11-10 — — WO disclosed
WO-2022138891-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE 中外製薬株式会社 2022-06-30 — — 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 (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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS CASP3 3906/4885MDM4 441/4885TP53 34/4885

“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.

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