SCHEMBL30640778

SCHEMBL30640778

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.40
▸ KMT2A Q03164 2/20 0.37
▸ EPHX2 P34913 1/20 0.35
▸ MDM4 O15151 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL26605930 1.00 CASP3 (0.40) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL24579194 1.00 CASP3 (0.40) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL30861952 0.89 CASP3 (0.40) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL24579421 0.89 CASP3 (0.40) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL27197524 0.89 CASP3 (0.40) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL26605906 0.86 CASP3 (0.48) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL24580372 0.86 CASP3 (0.48) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL29696651 0.86 CASP3 (0.48) CASP3KMT2AEPHX2MDM4TP53
SCHEMBL24579411 0.85 CASP3 (0.40) CASP3KMT2AEPHX2NPSR1
SCHEMBL31129073 0.85 CASP3 (0.40) CASP3KMT2AEPHX2NPSR1

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 2 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

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 2123/4885EPHX2 3243/4885

“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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