SCHEMBL5710345

SCHEMBL5710345

C[C@@](O)(C(=O)Nc1cccc(Cl)c1Cl)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 19/20 1.00
PDK2 Q15119 19/20 1.00
PDK3 Q15120 19/20 1.00
PDK4 Q16654 19/20 1.00
MEN1 O00255 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL5710351 1.00 PDK1 (1.00) PDK1PDK2PDK3PDK4MEN1
SCHEMBL6348877 0.88 PDK1 (1.00) PDK1PDK2PDK3PDK4
SCHEMBL5735974 0.88 PDK1 (1.00) PDK1PDK2PDK3PDK4
SCHEMBL5710226 0.87 PDK1 (0.76) PDK1PDK2PDK3PDK4
SCHEMBL5710224 0.87 PDK1 (0.76) PDK1PDK2PDK3PDK4
SCHEMBL6352865 0.87 PDK1 (0.76) PDK1PDK2PDK3PDK4
SCHEMBL5710228 0.85 PDK1 (0.74) PDK1PDK2PDK3PDK4
SCHEMBL14411794 0.85 PDK1 (0.74) PDK1PDK2PDK3PDK4
SCHEMBL5710232 0.85 PDK1 (0.74) PDK1PDK2PDK3PDK4
SCHEMBL5710321 0.85 PDK1 (0.74) PDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214295-B1 HYDROXYACETAMIDOBENZENESULPHONAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-11-02 EP disclosed
EP-1214296-B1 SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 EP disclosed
US-6689909-B1 TREATMENT OF DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF DIABETES MELLITUS, PERIPHERAL VASCULAR DISEASE AND MYOCARDIAL ISCHAEMIA ASTRAZENECA AB (SE) 2004-02-10 US disclosed
US-6552225-B1 Such as n-(2,3-dichloro-4-(methylaminosulphonyl)phenyl)-3,3,3-trifluoro-2-hydroxy-2 -methylpropanamide; diabetes, obesity, lactic acidaemia ASTRAZENECA AB (SE) 2003-04-22 US disclosed
EP-1214296-A1 SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2002-06-19 EP disclosed
EP-1214295-A2 HYDROXYACETAMIDOBENZENESULPHONAMIDE DERIVATIVES AstraZeneca AB (SE) 2002-06-19 EP disclosed
WO-2001017955-A2 HYDROXYACETAMIDOBENZENESULPHONAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-15 WO disclosed
WO-2001017956-A1 SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2001-03-15 WO disclosed