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Sugi Predict / Compounds / SCHEMBL30430635

SCHEMBL30430635

SCHEMBL30430635

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

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.64
▸ CTSD P07339 4/20 0.64
▸ BACE2 Q9Y5Z0 4/20 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
SCHEMBL31623409 0.94 BACE1 (0.71) BACE1CTSDBACE2
SCHEMBL14571185 0.86 BACE1 (0.45) BACE1CTSD
SCHEMBL30099569 0.86 BACE1 (0.66) BACE1CTSDBACE2
SCHEMBL30436341 0.85 BACE1 (0.58) BACE1CTSDBACE2
SCHEMBL30862314 0.85 BACE1 (0.66) BACE1CTSDBACE2
SCHEMBL29839267 0.84 BACE1 (0.65) BACE1CTSDBACE2
SCHEMBL29886733 0.84 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL31083908 0.84 FOLH1 (0.51) BACE1CTSDBACE2
SCHEMBL31752426 0.84 FOLH1 (0.51) BACE1CTSDBACE2
SCHEMBL4064179 0.83 BACE1 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4436981-A1 SYNTHETIC PROCESS FOR PRODUCTION OF MODIFIED GCC RECEPTOR AGONISTS Ironwood Pharmaceuticals, Inc. (US) 2024-10-02 — — EP disclosed
WO-2023097210-A1 SYNTHETIC PROCESS FOR PRODUCTION OF MODIFIED GCC RECEPTOR AGONISTS IRONWOOD PHARMACEUTICALS, INC. (US) 2023-06-01 — — WO disclosed
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