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Sugi Predict / Compounds / SCHEMBL31307241

SCHEMBL31307241

SCHEMBL31307241

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 19/20 0.57
▸ BACE2 Q9Y5Z0 4/20 0.54
▸ CTSD P07339 2/20 0.51

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
SCHEMBL30637767 0.93 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL28964063 0.93 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL31415938 0.89 BACE1 (0.51) BACE1
SCHEMBL31020880 0.89 NPY1R (0.49) BACE1BACE2
SCHEMBL29860263 0.89 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL29407562 0.89 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL31513110 0.88 NPY1R (0.52) BACE1BACE2CTSD
SCHEMBL31510665 0.87 BACE1 (0.52) BACE1BACE2
SCHEMBL29705780 0.86 OPRD1 (0.54) —
SCHEMBL30034864 0.86 NPY1R (0.53) —

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025002590-A1 TISSUE MHC CLASS I IMMUNOPEPTIDE PATTERN DEDICATED FOR GENERATION OF ANTI-CANCER VACCINES AGAINST NON-SMALL CELL LUNG CANCER (NSCLC), IDENTIFICATION AND ISOLATION OF NSCLC SPECIFIC T CELLS IN HUMANS UNIWERSYTET GDÁNSKI (PL) 2025-01-02 — — WO claimed
EP-4484954-A1 MHC CLASS I RESTRICTED IMMUNOPEPTIDE PATTERN FOR GENERATION OF ANTI-NSCLC VACCINES Uniwersytet Gdanski (PL) 2025-01-01 — — EP claimed
WO-2025002590-A1 TISSUE MHC CLASS I IMMUNOPEPTIDE PATTERN DEDICATED FOR GENERATION OF ANTI-CANCER VACCINES AGAINST NON-SMALL CELL LUNG CANCER (NSCLC), IDENTIFICATION AND ISOLATION OF NSCLC SPECIFIC T CELLS IN HUMANS UNIWERSYTET GDÁNSKI (PL) 2025-01-02 — — WO disclosed
EP-4484955-A1 METHOD FOR SCREENING OF EXTRACELLULAR TISSUE PEPTIDES IN MAMMALIAN TISSUE SAMPLES FOR HEALTH STATUS EVALUATION, DISEASE DIAGNOSTICS AND NEOANTIGEN DISCOVERY Uniwersytet Gdanski (PL) 2025-01-01 — — EP disclosed
EP-4484954-A1 MHC CLASS I RESTRICTED IMMUNOPEPTIDE PATTERN FOR GENERATION OF ANTI-NSCLC VACCINES Uniwersytet Gdanski (PL) 2025-01-01 — — EP disclosed
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