SCHEMBL27710328

SCHEMBL27710328

CC(CC=NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRR1 P24046 2/20 0.31
CYP1A2 P05177 1/20 0.31
CTSK P43235 2/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL27921297 1.00 MEN1 (0.33) MEN1GAAKMT2AGABRR1CYP1A2
SCHEMBL27845696 1.00 MEN1 (0.33) MEN1GAAKMT2AGABRR1CYP1A2
SCHEMBL29846523 0.84 CTSK (0.33) CTSKCA1CA2CA7
SCHEMBL27951667 0.81 CTSK (0.31) CTSKCA1CA2CA7
SCHEMBL27640595 0.81 NOS1 (0.33) CTSKCA1CA2CA7
SCHEMBL27768752 0.79 MEN1 (0.36) MEN1GAAKMT2ACTSK
SCHEMBL27737548 0.79
SCHEMBL25698306 0.74 NPC1 (0.36) KMT2ACTSKCA1CA7
SCHEMBL27654746 0.73 GAA (0.33) MEN1GAAKMT2ACYP1A2CTSK
SCHEMBL23030404 0.73 MEN1 (0.32) MEN1GAAKMT2A

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
EP-4540267-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA Merck Sharp & Dohme LLC (US) 2025-04-23 EP disclosed
WO-2023244554-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2023-12-21 WO disclosed
CN-101218234-B Phenyl-3-{(3-(1H-pyrrol-2-yl)-[1,2,4]oxadiazol-5-yl]piperidin-1-yl}-methanone derivatives and related compounds as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2011-12-14 CN disclosed
CN-101218234-A Phenyl-3-{(3-(1H-pyrrol-2-yl)-[1,2,4]oxadiazol-5-yl]piperidin-1-yl}-methanone derivatives and related compounds as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2008-07-09 CN disclosed