SCHEMBL6932355

SCHEMBL6932355

COc1cccc(C(COc2ccc(CC3SC(=O)NC3=O)cc2)OO)c1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.79
FFAR1 O14842 12/20 0.67
MPC2 O95563 1/20 0.63
CYP2C8 P10632 1/20 0.63
CYP2C9 P11712 1/20 0.63
PPARA Q07869 2/20 0.52
CA2 P00918 1/20 0.49

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
SCHEMBL14213719 0.93 PPARG (0.80) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL6928264 0.90 PPARG (0.75) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL6931380 0.90 PPARG (0.75) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL6929632 0.90 PPARG (0.75) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL19217858 0.89 PPARG (0.73) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL19217587 0.89 PPARG (0.76) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL935983 0.88 PPARG (1.00) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL12517394 0.88 PPARG (0.81) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL6928620 0.88 PPARG (1.00) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL6931666 0.88 PPARG (0.81) PPARGFFAR1MPC2CYP2C8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513070-B1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES CIRIUS THERAPEUTICS INC (US) 2017-11-08 EP disclosed
EP-3202401-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Octeta Therapeutics, LLC (US) 2017-08-09 EP disclosed
EP-2512470-B1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OCTETA THERAPEUTICS LLC (US) 2016-11-30 EP disclosed
WO-2014093114-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY LLC (US) 2014-06-19 WO disclosed
WO-2011084456-A9 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF DIABETES MELLITUS AND OTHER METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2012-06-21 WO disclosed
WO-2011084453-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2011-07-14 WO disclosed
WO-2011084459-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF OBESITY AND OTHER METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2011-07-14 WO disclosed
WO-2011084456-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF DIABETES MELLITUS AND OTHER METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2011-07-14 WO disclosed
WO-2011075514-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2011-06-23 WO disclosed