SCHEMBL29696671

SCHEMBL29696671

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.51
▸ MDM2 Q00987 2/20 0.41
▸ MDM4 O15151 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ PIN1 Q13526 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ TNF P01375 2/20 0.39

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
SCHEMBL24579933 0.94 CASP3 (0.49) CASP3MDM2MDM4TP53PIN1
SCHEMBL24579932 0.94 CASP3 (0.49) CASP3MDM2MDM4TP53PIN1
SCHEMBL30640792 0.94 CASP3 (0.49) CASP3MDM2MDM4TP53PIN1
SCHEMBL24579929 0.92 CASP3 (0.47) CASP3MDM2PIN1CTSLCTSB
SCHEMBL29693009 0.88 CASP3 (0.59) CASP3MDM2MDM4TP53PIN1
SCHEMBL29696649 0.87 CASP3 (0.48) CASP3MDM2MDM4TP53PIN1
SCHEMBL24579456 0.87 CASP3 (0.49) CASP3MDM2MDM4TP53PIN1
SCHEMBL24580511 0.87 CASP3 (0.47) CASP3PIN1CTSLCTSBCTSS
SCHEMBL30640813 0.87 CASP3 (0.49) CASP3MDM2MDM4TP53PIN1
SCHEMBL30640783 0.87 CASP3 (0.47) CASP3PIN1CTSLCTSBCTSS

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 3884/4885MDM2 3053/4885MDM4 2608/4885

“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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