SCHEMBL29696727

SCHEMBL29696727

C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.47
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ KMT2A Q03164 2/20 0.44
▸ EPHX2 P34913 1/20 0.42

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
SCHEMBL29539802 0.96 CASP3 (0.50) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL30406812 0.88 CASP3 (0.47) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL22144906 0.88 CASP3 (0.47) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL17922695 0.88 CASP3 (0.47) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL31488504 0.88 CASP3 (0.47) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL29813316 0.88 CASP3 (0.47) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL17922693 0.88 CASP3 (0.47) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL30877991 0.88 CASP3 (0.47) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL27332985 0.88 CASP3 (0.47) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL17922696 0.88 CASP3 (0.47) CASP3MDM4TP53KMT2AEPHX2

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-20240124517-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-18 — — US disclosed
EP-4269422-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-01 — — EP disclosed
CN-116615411-A Process for producing peptide compound containing N-substituted amino acid residue 中外制药株式会社 2023-08-18 — — CN 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-20240124517-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE VIP, NPEPPS, ANPEP CASP3 3884/4885MDM4 2608/4885TP53 4118/4885

“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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