SCHEMBL29696708

SCHEMBL29696708

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.40
▸ MDM4 O15151 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ PIN1 Q13526 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ PTPN1 P18031 2/20 0.34

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
SCHEMBL30640779 0.90 CASP3 (0.42) CASP3MDM4TP53CTSLCTSB
SCHEMBL24579343 0.90 CASP3 (0.42) CASP3MDM4TP53CTSLCTSB
SCHEMBL29696734 0.88 CASP3 (0.44) CASP3MDM4TP53CTSLCTSB
SCHEMBL29696725 0.86 CASP3 (0.38) CASP3MDM4TP53CTSLCTSB
SCHEMBL29696607 0.85 KMT2A (0.34) CASP3MDM4TP53CTSLCTSB
SCHEMBL29696636 0.85 CASP3 (0.42) CASP3MDM4TP53CTSLCTSB
SCHEMBL29696720 0.85 CASP3 (0.40) CASP3MDM4TP53CTSLCTSB
SCHEMBL29696609 0.84 CASP3 (0.46) CASP3MDM4TP53CTSLCTSB
SCHEMBL30861958 0.84 CASP3 (0.46) CASP3MDM4TP53CTSLCTSB
SCHEMBL24580478 0.83 CASP3 (0.47) CASP3CTSLCTSBCTSSCTSK

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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