SCHEMBL5504609

SCHEMBL5504609

C[C@@H](CCC(O)(c1ccccc1)c1ccccc1)CNS(=O)(=O)c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.50
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ATM Q13315 1/20 0.42
CYP2C19 P33261 1/20 0.39
GRIA4 P48058 1/20 0.38
KAT6A Q92794 2/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD11B1 P28845 2/20 0.37
NR3C2 P08235 1/20 0.36
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36

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
SCHEMBL5499767 0.81 GBA1 (0.58) GBA1MEN1KMT2AALDH1A1ATM
SCHEMBL5503652 0.79 GBA1 (0.56) GBA1MEN1KMT2AALDH1A1ATM
SCHEMBL7202401 0.78 KMT2A (0.43) MEN1KMT2AALDH1A1CYP2C19
SCHEMBL16831309 0.75 GBA1 (0.68) GBA1MEN1KMT2AALDH1A1ATM
SCHEMBL16831311 0.75 GBA1 (0.68) GBA1MEN1KMT2AALDH1A1ATM
SCHEMBL16831398 0.75 GBA1 (0.68) GBA1MEN1KMT2AALDH1A1ATM
SCHEMBL31494043 0.75 GBA1 (0.68) GBA1MEN1KMT2AALDH1A1ATM
SCHEMBL15621005 0.74 GBA1 (0.63) GBA1MEN1KMT2AALDH1A1ATM
SCHEMBL3264272 0.74 GBA1 (0.47) GBA1MEN1KMT2AALDH1A1ATM
SCHEMBL16832012 0.71 GBA1 (0.76) GBA1MEN1KMT2AALDH1A1ATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549306-A4 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH CORP (US) 2007-06-06 EP claimed
EP-1549306-A1 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION Wyeth (US) 2005-07-06 EP claimed
WO-2003103660-A1 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2003-12-18 WO claimed