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Sugi Predict / Compounds / SCHEMBL30099496

SCHEMBL30099496

SCHEMBL30099496

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 0.47
▸ CTSD P07339 4/20 0.47
▸ BACE2 Q9Y5Z0 2/20 0.40

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
SCHEMBL29413790 0.91 BACE1 (0.51) BACE1CTSDBACE2
SCHEMBL30123083 0.91 BACE1 (0.44) BACE1CTSD
SCHEMBL29771986 0.90 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL30575173 0.90 DPP4 (0.43) BACE1CTSD
SCHEMBL30099468 0.89 BACE1 (0.44) BACE1CTSD
SCHEMBL30099565 0.88 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL29978904 0.87 DPP4 (0.49) BACE1CTSD
SCHEMBL29777682 0.86 BACE1 (0.48) BACE1CTSDBACE2
SCHEMBL30637768 0.86 BACE1 (0.47) BACE1CTSDBACE2
SCHEMBL31256947 0.85 BACE1 (0.49) BACE1CTSDBACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250123280-A1 LABEL-FREE DETECTION OF PROTEASE ACTIVITY UNIV OREGON HEALTH & SCIENCE (US) 2025-04-17 — — US claimed
WO-2023003984-A2 LABEL-FREE DETECTION OF PROTEASE ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-01-26 — — WO claimed
US-20250123280-A1 LABEL-FREE DETECTION OF PROTEASE ACTIVITY UNIV OREGON HEALTH & SCIENCE (US) 2025-04-17 — — US disclosed
WO-2023003984-A2 LABEL-FREE DETECTION OF PROTEASE ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-01-26 — — WO disclosed
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