SCHEMBL5533718

SCHEMBL5533718

O=C(O)Oc1noc2c1CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)CC2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
GAA P10253 1/20 0.45
PKM P14618 1/20 0.44
PKLR P30613 1/20 0.44
CNR1 P21554 1/20 0.43
AKR1C3 P42330 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
HSD11B1 P28845 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 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
SCHEMBL5531185 0.87 MEN1 (0.45) GAAPKMAKR1C3L3MBTL1
SCHEMBL4261853 0.86 LMNA (0.48) LMNAHTTGAAPKMPKLR
SCHEMBL5246039 0.85 GPR142 (0.44) LMNAGAAPKMCNR1MAPT
SCHEMBL5539142 0.85 AKR1C3 (0.46) GAAAKR1C3PPARGPPARDPPARA
SCHEMBL5524794 0.83 GAA (0.40) LMNAHTTGAAPPARGPPARD
SCHEMBL5533864 0.82 MEN1 (0.44) GAAPKMPKLRAKR1C3KDM4E
SCHEMBL5531317 0.82 AKR1C3 (0.43) AKR1C3SMN1; SMN2
SCHEMBL5527187 0.81 LMNA (0.43) LMNAHTTGAAPKMSMN1; SMN2
SCHEMBL2582295 0.77 GAA (0.42) LMNAHTTGAAPPARGPPARD
SCHEMBL5243723 0.76 TSHR (0.47) LMNAPKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP claimed
EP-1869053-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-26 EP claimed
WO-2006105945-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2006-10-12 WO claimed
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP disclosed
EP-1869053-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-26 EP disclosed
WO-2006105945-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2006-10-12 WO disclosed