SCHEMBL30640813

SCHEMBL30640813

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.49
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ PIN1 Q13526 1/20 0.39
▸ MDM2 Q00987 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MDM4 O15151 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL24579456 1.00 CASP3 (0.49) CASP3CTSLCTSBCTSSCTSK
SCHEMBL26312148 1.00 CASP3 (0.49) CASP3CTSLCTSBCTSSCTSK
SCHEMBL24579453 0.97 CASP3 (0.47) CASP3CTSLCTSBCTSSCTSK
SCHEMBL24580394 0.95 CASP3 (0.51) CASP3CTSLCTSBCTSSCTSK
SCHEMBL29696649 0.91 CASP3 (0.48) CASP3CTSLCTSBCTSSCTSK
SCHEMBL24579473 0.89 CASP3 (0.47) CASP3CTSLCTSBCTSSCTSK
SCHEMBL29697699 0.89 CASP3 (0.47) CASP3CTSLCTSBCTSSCTSK
SCHEMBL29696671 0.87 CASP3 (0.51) CASP3CTSLCTSBCTSSCTSK
SCHEMBL29696679 0.87 CASP3 (0.47) CASP3CTSLCTSBCTSSCTSK
SCHEMBL24579932 0.86 CASP3 (0.49) CASP3CTSLCTSBCTSSCTSK

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 3884/4885CTSL 859/4885CTSB 1455/4885

“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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