SCHEMBL29527825

SCHEMBL29527825

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 12/20 0.46
▸ FNTB P49356 12/20 0.46
▸ PGGT1B P53609 2/20 0.42
▸ BACE1 P56817 2/20 0.41
▸ CTSD P07339 1/20 0.41
▸ LMNA P02545 1/20 0.39

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
SCHEMBL30053022 0.92 FNTA (0.50) FNTAFNTBPGGT1BBACE1CTSD
SCHEMBL11668382 0.90 FNTA (0.47) FNTAFNTBPGGT1BLMNA
SCHEMBL31494058 0.89 ENPEP (0.43) FNTAFNTBPGGT1BBACE1
SCHEMBL30052935 0.88 BACE1 (0.48) FNTAFNTBPGGT1BBACE1CTSD
SCHEMBL29630632 0.88 LMNA (0.46) FNTAFNTBPGGT1BLMNA
SCHEMBL30052545 0.88 FNTA (0.50) FNTAFNTBPGGT1BLMNA
SCHEMBL17880750 0.88 FNTA (0.50) FNTAFNTBPGGT1BLMNA
SCHEMBL30112746 0.86 METAP2 (0.41) FNTAFNTBPGGT1BBACE1CTSD
SCHEMBL30051796 0.85 FNTA (0.43) FNTAFNTBPGGT1BBACE1CTSD
SCHEMBL29633667 0.84 PDCD1LG2 (0.45) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118406148-A Antibodies to MADCAM 辉瑞大药厂 2024-07-30 — — CN disclosed
CN-111032694-B Antibodies to MADCAM 辉瑞大药厂 2024-03-08 — — CN disclosed
US-11802156-B2 Antibodies to MAdCAM PFIZER INC. (US) 2023-10-31 — — US disclosed
US-20220119521-A1 Antibodies to MAdCAM PFIZER INC. 2022-04-21 — — US disclosed
Send feedback