SCHEMBL31246132

SCHEMBL31246132

CC(C)(C)OC(=O)NC1CC(O)CC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.54
CTSK P43235 2/20 0.46
GAA P10253 2/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KDM1A O60341 2/20 0.43
MAOB P27338 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
EPHX2 P34913 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD11B1 P28845 1/20 0.42
EPHX1 P07099 1/20 0.41

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
SCHEMBL31246148 1.00 BTK (0.54) BTKCTSKGAAKMT2AL3MBTL1
SCHEMBL18696405 1.00 BTK (0.54) BTKCTSKGAAKMT2AL3MBTL1
SCHEMBL4533054 0.98 BTK (0.56) BTKCTSKGAAKMT2AL3MBTL1
SCHEMBL1707598 0.98 BTK (0.56) BTKCTSKGAAKMT2AL3MBTL1
SCHEMBL131490 0.98 BTK (0.56) BTKCTSKGAAKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL29424919 0.96 BTK (0.54) BTKCTSKGAAKMT2AL3MBTL1
SCHEMBL23620440 0.90 BTK (0.49) BTKCTSKGAAKMT2AL3MBTL1
SCHEMBL31072094 0.87 BTK (0.50) BTKCTSKGAAKMT2AL3MBTL1
SCHEMBL17398095 0.86 BTK (0.56) BTKCTSKGAAKMT2AL3MBTL1
SCHEMBL17398093 0.86 BTK (0.56) BTKCTSKGAAKMT2AL3MBTL1

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-4713320-A2 BCAT2 INHIBITORS Agios Pharmaceuticals, Inc. (US) 2026-03-25 EP disclosed
WO-2024238820-A2 BCAT2 INHIBITORS AGIOS PHARMACEUTICALS, INC. (US) 2024-11-21 WO disclosed