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Sugi Predict / Compounds / SCHEMBL30980378

SCHEMBL30980378

SCHEMBL30980378

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

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 16/20 0.48
▸ CTSD P07339 3/20 0.46
▸ BACE2 Q9Y5Z0 1/20 0.44
▸ ERBB2 P04626 1/20 0.42

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
SCHEMBL30980374 0.94 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL30980367 0.93 BACE1 (0.47) BACE1CTSDBACE2ERBB2
SCHEMBL31069710 0.89 BACE1 (0.44) BACE1CTSDBACE2
SCHEMBL30586992 0.87 BACE1 (0.43) BACE1CTSDBACE2
SCHEMBL31666003 0.86 BACE1 (0.45) BACE1CTSDBACE2
SCHEMBL31666002 0.86 BACE1 (0.45) BACE1CTSD
SCHEMBL30452111 0.85 BACE1 (0.45) BACE1CTSDBACE2ERBB2
SCHEMBL30262027 0.84 BACE1 (0.48) BACE1CTSD
SCHEMBL30311994 0.83 BACE1 (0.54) BACE1CTSDBACE2ERBB2
SCHEMBL30963042 0.83 BACE1 (0.46) BACE1CTSDBACE2ERBB2

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
WO-2025096668-A1 SYSTEM AND COMPOSITIONS COMPRISING MHC SCAFFOLD AND METHODS OF IDENTIFYING ANTIGENS USING THE SAME THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2025-05-08 — — WO disclosed
US-20240366738-A1 MOLECULAR VACCINES FOR INFECTIOUS DISEASE AGILENT TECHNOLOGIES INC (US) 2024-11-07 — — US disclosed
US-11992518-B2 Molecular vaccines for infectious disease AGILENT TECHNOLOGIES, INC. (US) 2024-05-28 — — US disclosed
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