SCHEMBL4608774

SCHEMBL4608774

CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccncc2)cc1O)C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 14/20 0.70
ABCC8 Q09428 14/20 0.70
KCNJ11 Q14654 14/20 0.70
KCNJ8 Q15842 14/20 0.70
PDK1 Q15118 4/20 0.55
PDK2 Q15119 4/20 0.55
PDK3 Q15120 4/20 0.55
PDK4 Q16654 4/20 0.55
ABCB11 O95342 1/20 0.54
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL4608829 0.87 PDK1 (0.72) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4608827 0.87 PDK1 (0.72) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL5669686 0.86 ABCC9 (0.67) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4609128 0.85 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL8866554 0.83 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL8865980 0.83 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL8866291 0.79 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6571208 0.78 PDK1 (0.74) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6571201 0.78 PDK1 (0.74) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6569896 0.77 PDK1 (0.60) ABCC9ABCC8KCNJ11KCNJ8PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203225-A1 METHOD OF INCREASING ENDOGENOUS ADIPONECTIN PRODUCTION AND LEPTIN PRODUCTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-30 US claimed
EP-1730310-A2 A FORMULATION FOR INCREASING ENDOGENOUS ADIPONECTIN AND LEPTIN PRODUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-12-13 EP claimed
US-20050261362-A1 Method of increasing endogenous adiponectin and leptin production THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-11-24 US claimed
WO-2005092040-A2 A FORMULATION FOR INCREASING ENDOGENOUS ADIPONECTIN AND LEPTIN PRODUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-10-06 WO claimed
EP-0617010-B1 Therapeutic compounds ASTRAZENECA AB (SE) 2002-01-09 EP claimed
EP-0617010-A1 Therapeutic compounds ZENECA LIMITED (GB) 1994-09-28 EP claimed
EP-1059927-B1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-20070203225-A1 METHOD OF INCREASING ENDOGENOUS ADIPONECTIN PRODUCTION AND LEPTIN PRODUCTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-30 US disclosed
EP-1730310-A2 A FORMULATION FOR INCREASING ENDOGENOUS ADIPONECTIN AND LEPTIN PRODUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-12-13 EP disclosed
US-20050261362-A1 Method of increasing endogenous adiponectin and leptin production THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-11-24 US disclosed
WO-2005092040-A2 A FORMULATION FOR INCREASING ENDOGENOUS ADIPONECTIN AND LEPTIN PRODUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-10-06 WO disclosed
US-6369273-B1 ARYL ALCOHOLS OR ESTERS FOR ELEVATION OF PYRUVATE DHYDROGENASE ASTRAZENECA AB (SE) 2002-04-09 US disclosed
EP-0617010-B1 Therapeutic compounds ASTRAZENECA AB (SE) 2002-01-09 EP disclosed
EP-1059927-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2000-12-20 EP disclosed
WO-1999044618-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-09-10 WO disclosed
US-5900432-A Therapeutic N-(4-benzoyl-2-methyl-phenyl)-3,3,3-trifluoro-2-hydroxy-2-methyl-propanamides ZENECA LIMITED (GB) 1999-05-04 US disclosed
US-5482969-A Certain N(4-benzoyl-2-phenyl)-3- trifluoro-2-hydroxy-propanamide derivatives ZENECA LIMITED (GB) 1996-01-09 US disclosed
EP-0617010-A1 Therapeutic compounds ZENECA LIMITED (GB) 1994-09-28 EP disclosed