SCHEMBL7561578

SCHEMBL7561578

CC(C)(C)c1cc(CC2SC(=S)NC2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.54
MAOA P21397 2/20 0.51
CISD1 Q9NZ45 2/20 0.51
MAOB P27338 1/20 0.51
PTGS2 P35354 4/20 0.43
PTGS1 P23219 3/20 0.39
ALDH1A1 P00352 5/20 0.39
TSHR P16473 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
BLM P54132 2/20 0.39
ATM Q13315 2/20 0.39
HIF1A Q16665 2/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL9684390 0.88 CA2 (0.45) CA2MAOACISD1MAOBPTGS2
SCHEMBL7971444 0.87 MAOA (0.67) CA2MAOACISD1MAOBPTGS2
SCHEMBL8537473 0.78 CA2 (0.54) CA2MAOACISD1MAOBALDH1A1
SCHEMBL30020280 0.76 PTGS2 (0.48) CA2PTGS2PTGS1ALDH1A1TSHR
Tazofelone SCHEMBL7562446 0.74 ALDH1A1 (0.40) MAOACISD1MAOBPTGS2PTGS1
Tazofelone SCHEMBL380266 0.74 ALDH1A1 (0.40) MAOACISD1MAOBPTGS2PTGS1
Tazofelone SCHEMBL7561505 0.74 ALDH1A1 (0.40) MAOACISD1MAOBPTGS2PTGS1
SCHEMBL8172791 0.74 CA2 (0.71) CA2MAOACISD1MAOBALDH1A1
SCHEMBL13045143 0.73 GAA (0.46) CA2ALDH1A1TSHRNPSR1MEN1
SCHEMBL21263121 0.72 ALDH1A1 (0.41) CA2MAOACISD1MAOBPTGS2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799215-B1 PROCESS FOR PREPARING BENZYL-SUBSTITUTED RHODANINE DERIVATIVES LILLY CO ELI (US) 2002-08-14 EP disclosed
US-6201127-B1 REACTING 2-THIOXO-4-THIAZOLIDINONE, 2,4-THIAZOLIDINEDIONE OR 4-THIAZOLIDNONE WITH AN ALDEHYDE IN THE PRESENCE OF AN AMINE ELI LILLY AND COMPANY 2001-03-13 US disclosed
EP-0761656-B1 Alternate crystal form of tazofelone ((+,-)-5-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-4-thiazolidinone) LILLY CO ELI (US) 2001-01-03 EP disclosed
EP-0761657-B1 Process for preparing benzyl-substituted rhodanine derivatives LILLY CO ELI (US) 2000-05-24 EP disclosed
US-6063799-A ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL DISORDERS AND ANTIARTHRITIC AGENTS ELI LILLY AND COMPANY (US) 2000-05-16 US disclosed
US-6005142-A Process for preparing benzyl-substituted rhodanine derivatives ELI LILLY AND COMPANY (US) 1999-12-21 US disclosed
EP-0434394-B1 Compounds for treating inflammatory bowel disease LILLY CO ELI (US) 1998-08-05 EP disclosed
US-5691367-A ANTIINFLAMMATORY AGENTS OR ANTIARTHRITIC AGENTS ELI LILLY AND COMPANY (US) 1997-11-25 US disclosed
WO-1997009320-A1 ALTERNATE CRYSTAL FORM OF TAZOFELONE ELI LILLY AND COMPANY (US) 1997-03-13 WO disclosed
WO-1997009305-A1 PROCESS FOR PREPARING BENZYL-SUBSTITUTED RHODANINE DERIVATIVES ELI LILLY AND COMPANY (US) 1997-03-13 WO disclosed
EP-0391644-B1 Aryl-substituted rhodanine derivatives LILLY CO ELI (US) 1996-06-19 EP disclosed
US-5387690-A Method of treating inflammatory bowel disease ELI LILLY AND COMPANY (US) 1995-02-07 US disclosed
US-5356917-A Antiischemic, antiinflammatory, antiarthritic agents, treat-ment of dystrophic mammals ELI LILLY AND COMPANY (US) 1994-10-18 US disclosed
US-5216002-A Using benzyl substituted rhodanine derivatives as pure enantiomeric form ELI LILLY AND COMPANY (US) 1993-06-01 US disclosed
US-5158966-A Aryl-substituted rhodanine derivatives THE UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-10-27 US disclosed
EP-0500337-A1 Composition containing aryl-substituted rhodanine derivatives for the treatment of type I diabetes UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-08-26 EP disclosed
EP-0434394-A2 Compounds for treating inflammatory bowel disease ELI LILLY AND COMPANY (US) 1991-06-26 EP disclosed
EP-0391644-A2 Aryl-substituted rhodanine derivatives ELI LILLY AND COMPANY (US) 1990-10-10 EP disclosed
EP-0211670-B1 DI-T-BUTYLPHENOL COMPOUNDS ELI LILLY AND COMPANY (US) 1990-05-09 EP disclosed
EP-0211670-A2 Di-t-butylphenol compounds ELI LILLY AND COMPANY (US) 1987-02-25 EP disclosed