SCHEMBL31246191

SCHEMBL31246191

CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 1/20 0.49
KCNQ4 P56696 3/20 0.46
KCNQ5 Q9NR82 3/20 0.46
RXFP1 Q9HBX9 1/20 0.45
MPO P05164 1/20 0.45
DHODH Q02127 4/20 0.44
CYP17A1 P05093 1/20 0.43
KEAP1 Q14145 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
SERPINE1 P05121 1/20 0.40
LMNA P02545 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
SCHEMBL30227212 0.88 GRIK1 (0.48) KCNK2KCNQ4KCNQ5RXFP1CYP17A1
SCHEMBL30227411 0.88 GRIK1 (0.48) KCNK2KCNQ4KCNQ5RXFP1CYP17A1
SCHEMBL22092478 0.86 RXFP1 (0.46) KCNK2KCNQ4KCNQ5RXFP1MPO
SCHEMBL1767849 0.85 KMT2A (0.52) RXFP1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL27852761 0.85 MEN1 (0.56) ALDH1A1MAPTMEN1GFERKMT2A
SCHEMBL31619048 0.85 KMT2A (0.52) RXFP1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL16854246 0.85 KCNK2 (0.42) KCNK2MPODHODHGAAMAPT
SCHEMBL15602289 0.85 KCNQ4 (0.44) KCNK2KCNQ4KCNQ5RXFP1DHODH
SCHEMBL857284 0.83 HTT (0.55) KCNQ4KCNQ5CYP17A1ALDH1A1GAA
SCHEMBL686427 0.83 RXFP1 (0.58) RXFP1MPOALDH1A1MAPTKDM4E

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