SCHEMBL24933645

SCHEMBL24933645

C[C@H]1COC[C@H](COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)O1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.36
HSD17B2 P37059 6/20 0.36
PRKAB2 O43741 2/20 0.34
PRKAG1 P54619 2/20 0.34
PRKAA2 P54646 2/20 0.34
PRKAA1 Q13131 2/20 0.34
PRKAG3 Q9UGI9 2/20 0.34
PRKAG2 Q9UGJ0 2/20 0.34
PRKAB1 Q9Y478 2/20 0.34
PARP1 P09874 1/20 0.34
FFAR1 O14842 2/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
FFAR4 Q5NUL3 4/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
SCN9A Q15858 1/20 0.32
MOGAT2 Q3SYC2 1/20 0.31

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
SCHEMBL24933187 1.00 HSD17B1 (0.36) HSD17B1HSD17B2PRKAB2PRKAG1PRKAA2
SCHEMBL24933523 1.00 HSD17B1 (0.36) HSD17B1HSD17B2PRKAB2PRKAG1PRKAA2
SCHEMBL24933744 1.00 HSD17B1 (0.36) HSD17B1HSD17B2PRKAB2PRKAG1PRKAA2
SCHEMBL24933750 1.00 HSD17B1 (0.36) HSD17B1HSD17B2PRKAB2PRKAG1PRKAA2
SCHEMBL24933415 1.00 HSD17B1 (0.36) HSD17B1HSD17B2PRKAB2PRKAG1PRKAA2
SCHEMBL30240754 0.91 HSD17B1 (0.36) HSD17B1HSD17B2PRKAB2PRKAG1PRKAA2
SCHEMBL30240746 0.91 HSD17B1 (0.36) HSD17B1HSD17B2PRKAB2PRKAG1PRKAA2
SCHEMBL30240723 0.91 HSD17B1 (0.36) HSD17B1HSD17B2PRKAB2PRKAG1PRKAA2
SCHEMBL30240712 0.91 HSD17B1 (0.36) HSD17B1HSD17B2PRKAB2PRKAG1PRKAA2
SCHEMBL24933313 0.91 PRKAB2 (0.35) HSD17B1HSD17B2PRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373809-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2024-05-29 EP claimed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN claimed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO claimed
EP-4373809-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2024-05-29 EP disclosed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed