SCHEMBL29696610

SCHEMBL29696610

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.48
▸ KMT2A Q03164 2/20 0.44
▸ MDM4 O15151 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ MDM2 Q00987 2/20 0.38
▸ SLC17A5 Q9NRA2 1/20 0.38

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
SCHEMBL26605906 0.92 CASP3 (0.48) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL24580372 0.92 CASP3 (0.48) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29696651 0.92 CASP3 (0.48) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29696743 0.86 CASP3 (0.47) CASP3KMT2AMDM4TP53MDM2
SCHEMBL29709726 0.82 CASP3 (0.47) CASP3KMT2AMDM4TP53MDM2
SCHEMBL26127649 0.81 CASP3 (0.47) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL26010080 0.81 CASP3 (0.47) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29416526 0.81 CASP3 (0.47) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29696650 0.81 KMT2A (0.51) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL24579474 0.79 CASP3 (0.47) CASP3KMT2AMDM4TP53

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 3884/4885KMT2A 2123/4885MDM4 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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