SCHEMBL22690656

SCHEMBL22690656

CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.50
CTSS P25774 3/20 0.50
CTSB P07858 1/20 0.50
CYP26A1 O43174 4/20 0.48
CTSA P10619 1/20 0.43
AAK1 Q2M2I8 4/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
ALDH1A1 P00352 1/20 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
SCHEMBL740965 1.00 CTSK (0.50) CTSKCTSSCTSBCYP26A1CTSA
SCHEMBL740964 1.00 CTSK (0.50) CTSKCTSSCTSBCYP26A1CTSA
SCHEMBL29861162 0.89 CTSS (0.47) CTSKCTSSCTSBCYP26A1AAK1
SCHEMBL21459379 0.89 CTSS (0.47) CTSKCTSSCTSBCYP26A1AAK1
SCHEMBL21459378 0.89 CTSS (0.47) CTSKCTSSCTSBCYP26A1AAK1
SCHEMBL27351850 0.89 CTSS (0.47) CTSKCTSSCTSBCYP26A1AAK1
SCHEMBL4838536 0.87 CTSS (0.49) CTSKCTSSCTSBAAK1ALDH1A1
SCHEMBL29676847 0.87 CTSS (0.49) CTSKCTSSCTSBAAK1ALDH1A1
SCHEMBL4704028 0.87 CTSS (0.49) CTSKCTSSCTSBAAK1ALDH1A1
SCHEMBL4838542 0.87 CTSS (0.49) CTSKCTSSCTSBAAK1ALDH1A1

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
EP-4561991-A1 NOVEL HETEROCYCLES AS SPLA2-X INHIBITORS Cayman Chemical Company, Inc. (US) 2025-06-04 EP disclosed
WO-2024026290-A1 NOVEL HETEROCYCLES AS sPLA2-X INHIBITORS CAYMAN CHEMICAL COMPANY INCORPORATED (US) 2024-02-01 WO disclosed
WO-2024026290-A1 NOVEL HETEROCYCLES AS sPLA2-X INHIBITORS CAYMAN CHEMICAL COMPANY INCORPORATED (US) 2024-02-01 WO disclosed
EP-3972590-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES Merck Sharp & Dohme Corp. (US) 2022-03-30 EP disclosed
WO-2020236688-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES MERCK SHARP & DOHME CORP. (US) 2020-11-26 WO disclosed