SCHEMBL29590592

SCHEMBL29590592

C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 12/20 0.39
▸ CTSD P07339 1/20 0.36
▸ OPRD1 P41143 1/20 0.34
▸ PTPN1 P18031 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
SCHEMBL29630322 0.96 BACE1 (0.41) BACE1CTSDOPRD1PTPN1
SCHEMBL29591626 0.96 BACE1 (0.41) BACE1CTSDOPRD1PTPN1
SCHEMBL29376470 0.94 MME (0.36) BACE1
SCHEMBL29447737 0.93 MME (0.36) BACE1
SCHEMBL30390019 0.91 MME (0.39) BACE1
SCHEMBL31314295 0.90 BACE1 (0.44) BACE1CTSDOPRD1PTPN1
SCHEMBL29557496 0.90 BACE1 (0.38) BACE1CTSDOPRD1PTPN1
SCHEMBL30426633 0.90 OPRD1 (0.35) BACE1OPRD1
SCHEMBL31113501 0.90 BACE1 (0.35) BACE1OPRD1
SCHEMBL29630382 0.90 BACE1 (0.36) BACE1CTSD

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-12618102-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited (GB) 2026-05-05 — — US disclosed
US-20220112547-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-04-14 — — 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-12618102-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions POLM, POLR1A, POLR1E BACE1 530/4885CTSD 3399/4885OPRD1 4566/4885

“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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