SCHEMBL24580454

SCHEMBL24580454

C=CCOC(=O)CNC(=O)C(C(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ CASP3 P42574 4/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ FABP5 Q01469 2/20 0.33
▸ FABP7 O15540 1/20 0.33

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
SCHEMBL24579261 1.00 KMT2A (0.40) KMT2ACASP3NPSR1EPHX2FABP5
SCHEMBL24580350 0.88 KMT2A (0.44) KMT2ACASP3EPHX2FABP5FABP7
SCHEMBL30640781 0.86 KMT2A (0.40) KMT2ACASP3NPSR1EPHX2FABP5
SCHEMBL24579349 0.86 KMT2A (0.40) KMT2ACASP3NPSR1EPHX2FABP5
SCHEMBL30640770 0.85 KMT2A (0.45) KMT2ACASP3EPHX2FABP5FABP7
SCHEMBL29696682 0.85 KMT2A (0.45) KMT2ACASP3EPHX2FABP5FABP7
SCHEMBL24579265 0.85 KMT2A (0.45) KMT2ACASP3EPHX2FABP5FABP7
SCHEMBL24579350 0.85 KMT2A (0.45) KMT2ACASP3EPHX2FABP5FABP7
SCHEMBL24579187 0.84 CASP3 (0.37) KMT2ACASP3NPSR1
SCHEMBL24580430 0.84 CASP3 (0.37) KMT2ACASP3NPSR1

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 3 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
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 KMT2A 2123/4885CASP3 3884/4885NPSR1 130/4885

“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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