SCHEMBL24963329

SCHEMBL24963329

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N1CCCC1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.41
▸ KMT2A Q03164 2/20 0.37
▸ MDM4 O15151 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ P2RY12 Q9H244 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
SCHEMBL24963330 1.00 CASP3 (0.41) CASP3KMT2AMDM4TP53P2RY12
SCHEMBL24965940 0.91 CASP3 (0.38) CASP3KMT2AMDM4TP53P2RY12
SCHEMBL24965939 0.91 CASP3 (0.38) CASP3KMT2AMDM4TP53P2RY12
SCHEMBL22605622 0.90 CASP3 (0.36) CASP3
SCHEMBL26010142 0.88 PRCP (0.35) CASP3KMT2A
SCHEMBL24966155 0.87 CASP3 (0.41) CASP3KMT2AMDM4TP53
SCHEMBL24966154 0.87 CASP3 (0.41) CASP3KMT2AMDM4TP53
SCHEMBL29696715 0.87 CASP3 (0.48) CASP3KMT2AMDM4TP53
SCHEMBL24966013 0.86 CASP3 (0.39) CASP3
SCHEMBL24966009 0.86 CASP3 (0.39) CASP3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026641-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND COMPRISING HIGHLY STERICALLY HINDERED AMINO ACID CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-01-26 — — US 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-20230026641-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND COMPRISING HIGHLY STERICALLY HINDERED AMINO ACID DNPEP, VIP, NPEPPS CASP3 1864/4885KMT2A 2469/4885MDM4 3528/4885

“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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