SCHEMBL11533430

SCHEMBL11533430

O=C(O)C1CSc2sccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
HTT P42858 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
PPARG P37231 1/20 0.40
RAB9A P51151 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
MAPK1 P28482 1/20 0.35
BCAT2 O15382 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CES1 P23141 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL11569730 0.87 ALDH1A1 (0.37) HPGDHTTALDH1A1NPC1PPARG
SCHEMBL11534203 0.76 MEN1 (0.45) HTTALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL28808246 0.74 ALDH1A1 (0.36) HPGDHTTALDH1A1NPC1PPARG
SCHEMBL11664943 0.72 NPC1 (0.31) HTTALDH1A1NPC1PPARGRAB9A
SCHEMBL11535382 0.71 POLB (0.44) HPGDHTTALDH1A1L3MBTL1NPSR1
SCHEMBL4574399 0.70 HPGD (0.34) HPGDHTTALDH1A1NPC1PPARG
SCHEMBL4573400 0.69 ALDH1A1 (0.32) HPGDHTTALDH1A1NPC1PPARG
SCHEMBL7288669 0.68 HTT (0.41) HPGDHTTALDH1A1NPC1PPARG
SCHEMBL11608520 0.68 ALDH1A1 (0.38) HTTALDH1A1NPC1PPARGRAB9A
SCHEMBL28326509 0.68 HTT (0.33) HTT

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
US-4154734-A Amides of 4-hydroxy-6H-thieno[2,3-b]thiopyran-5-carboxylic acid-7,7-dioxide WARNER-LAMBERT COMPANY (US) 1979-05-15 US disclosed
US-4134896-A 5,6-Dihydro-4-oxo-4H-thieno[2,3-b]thiopyran-5-carboxamides, and process for the preparation thereof WARNER-LAMBERT COMPANY (US) 1979-01-16 US disclosed
US-4134897-A Amides of 4-hydroxy-6H-thieno[2,3-b]thiopyran-5-carboxylic acid-7,7-dioxide and process for the preparation thereof WARNER-LAMBERT COMPANY (US) 1979-01-16 US disclosed
US-4134900-A 5,6-Dihydro-4-oxo-4H-thieno[2,3-b]thiopyran-5-carboxamides, and process for the preparation thereof WARNER-LAMBERT COMPANY (US) 1979-01-16 US disclosed
US-4127585-A Isoxazol amides of 4-hydroxy-6H-thieno[2,3-b]thiopyran-5-carboxylic acid-7,7-dioxide WARNER-LAMBERT COMPANY (US) 1978-11-28 US disclosed
US-4098794-A N-Thiazolyl-5,6-dihydro-4-oxo-4H-thieno[2,3-b]thiopyran-5-carboxamides WARNER-LAMBERT COMPANY (US) 1978-07-04 US disclosed
US-4097441-A 5,6-Dihydro-4-oxo-4H-thieno 2,3-b!thiopyran-5-carboxamides WARNER-LAMBERT COMPANY (US) 1978-06-27 US disclosed
US-4092325-A 5,6-Dihydro-4-oxo-4H-thieno[2,3-b]thiopyran-5-carboxamides, and process for the preparation thereof WARNER-LAMBERT COMPANY (US) 1978-05-30 US disclosed
US-4082757-A Amides of 4-hydroxy-6H-thieno[2,3-b]thiopyran-5-carboxylic acid-7,7-dioxide WARNER-LAMBERT COMPANY (US) 1978-04-04 US disclosed