SCHEMBL29697691

SCHEMBL29697691

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C(=O)N(C)[C@@H](CC(=O)O)C(=O)N(C)C)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 6/20 0.45
▸ PIN1 Q13526 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ KMT2A Q03164 1/20 0.35
▸ MDM2 Q00987 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MDM4 O15151 1/20 0.34
▸ TP53 P04637 1/20 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
SCHEMBL24580502 1.00 CASP3 (0.45) CASP3PIN1CTSLCTSBCTSS
SCHEMBL24580501 1.00 CASP3 (0.45) CASP3PIN1CTSLCTSBCTSS
SCHEMBL24580499 0.97 CASP3 (0.42) CASP3PIN1CTSLCTSBCTSS
SCHEMBL29696617 0.95 CASP3 (0.43) CASP3PIN1CTSLCTSBCTSS
SCHEMBL29696646 0.94 CASP3 (0.43) CASP3PIN1CTSLCTSBCTSS
SCHEMBL24579358 0.91 CASP3 (0.51) CASP3PIN1CTSLCTSBCTSS
SCHEMBL26312135 0.91 CASP3 (0.38) CASP3PIN1CTSLCTSBCTSS
SCHEMBL30640790 0.91 CASP3 (0.44) CASP3PIN1CTSLCTSBCTSS
SCHEMBL24580392 0.91 CASP3 (0.44) CASP3PIN1CTSLCTSBCTSS
SCHEMBL24580396 0.91 CASP3 (0.44) CASP3PIN1CTSLCTSBCTSS

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 CASP3 3884/4885PIN1 1401/4885CTSL 859/4885

“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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