SCHEMBL31246142

SCHEMBL31246142

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.53
GAA P10253 2/20 0.51
NFKB1 P19838 4/20 0.50
NFKB2 Q00653 4/20 0.50
RELA Q04206 4/20 0.50
KDM1A O60341 2/20 0.46
MAOB P27338 1/20 0.46
EPHX2 P34913 1/20 0.46
CTSK P43235 2/20 0.45
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD11B1 P28845 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
SCHEMBL570801 0.92 GAA (0.54) BTKGAANFKB1NFKB2RELA
SCHEMBL25190566 0.89 BTK (0.61) BTKGAANFKB1NFKB2RELA
SCHEMBL31072098 0.87 BTK (0.49) BTKGAANFKB1NFKB2RELA
SCHEMBL30073691 0.86 BTK (0.50) BTKGAANFKB1NFKB2RELA
SCHEMBL19575961 0.85 BTK (0.43) BTKGAANFKB1NFKB2RELA
SCHEMBL1988919 0.82 NFKB1 (0.54) BTKGAANFKB1NFKB2RELA
SCHEMBL720531 0.82 CTSK (0.50) BTKGAANFKB1NFKB2RELA
SCHEMBL720530 0.82 CTSK (0.50) BTKGAANFKB1NFKB2RELA
SCHEMBL8320677 0.82 CTSK (0.50) BTKGAANFKB1NFKB2RELA
SCHEMBL13851561 0.81 BTK (0.53) BTKGAANFKB1NFKB2RELA

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