SCHEMBL30861937

SCHEMBL30861937

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ EPHX2 P34913 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CASP1 P29466 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
SCHEMBL24579293 1.00 CASP3 (0.41) CASP3KMT2AOPRD1EPHX2NPSR1
SCHEMBL30861952 0.87 CASP3 (0.40) CASP3KMT2AEPHX2
SCHEMBL27197524 0.87 CASP3 (0.40) CASP3KMT2AEPHX2
SCHEMBL24579421 0.87 CASP3 (0.40) CASP3KMT2AEPHX2
SCHEMBL24579411 0.87 CASP3 (0.40) CASP3KMT2AEPHX2NPSR1
SCHEMBL31129073 0.87 CASP3 (0.40) CASP3KMT2AEPHX2NPSR1
SCHEMBL30640796 0.87 CASP3 (0.40) CASP3KMT2AEPHX2NPSR1
SCHEMBL24579262 0.87 CASP3 (0.40) CASP3KMT2AEPHX2NPSR1
SCHEMBL23879137 0.87 CASP3 (0.40) CASP3KMT2AEPHX2NPSR1
SCHEMBL30522097 0.87 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 1 patent. 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

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 2123/4885OPRD1 3410/4885

“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.

Send feedback