SCHEMBL31246152

SCHEMBL31246152

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.50
CTSK P43235 2/20 0.43
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
EPHX2 P34913 1/20 0.40
HSD11B1 P28845 4/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP2C9 P11712 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL14750990 0.93 BTK (0.49) BTKCTSKKMT2AGAAMEN1
SCHEMBL6371210 0.89 BTK (0.58) BTKCTSKKMT2AGAAMEN1
SCHEMBL22084021 0.89 BTK (0.44) BTKCTSKKMT2AGAAMEN1
SCHEMBL23912525 0.89 BTK (0.58) BTKCTSKKMT2AGAAMEN1
SCHEMBL22084798 0.89 BTK (0.44) BTKCTSKKMT2AGAAMEN1
SCHEMBL31072093 0.88 BTK (0.47) BTKCTSKKMT2AGAAMEN1
Formic Acid SCHEMBL27966674 0.87 BTK (0.44) BTKCTSKKMT2AGAAMEN1
SCHEMBL31402082 0.87 BTK (0.43) BTKCTSKKMT2AGAAMEN1
SCHEMBL31402056 0.87 BTK (0.43) BTKCTSKKMT2AGAAMEN1
SCHEMBL6466893 0.85 GAA (0.41) BTKCTSKKMT2AGAAMAPK1

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