SCHEMBL8973779

SCHEMBL8973779

Nc1csc(C(=O)C(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
GABRA5 P31644 1/20 0.36
GABRB2 P47870 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GRM5 P41594 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM6B O15054 1/20 0.30
KDM4A O75164 1/20 0.30
KDM4B O94953 1/20 0.30
KDM5C P41229 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30
KDM3A Q9Y4C1 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
SCHEMBL1047944 0.83
Lithium SCHEMBL31223951 0.81 CSNK2A1 (0.40) CSNK2A1PLK3GABRA5GABRB2HSD17B10
SCHEMBL19329267 0.78
SCHEMBL11404925 0.78
SCHEMBL9814252 0.77 ALDH1A1 (0.40) CSNK2A1PLK3GABRA5GABRB2HSD17B10
SCHEMBL9814249 0.77 ALDH1A1 (0.40) CSNK2A1PLK3GABRA5GABRB2HSD17B10
SCHEMBL10505192 0.77 CSNK2A1 (0.35) CSNK2A1PLK3GABRA5GABRB2HSD17B10
SCHEMBL10922090 0.77
SCHEMBL10866605 0.77
SCHEMBL27390219 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0041655-B1 2-(2-AMINO-THIAZOL-4-YL)-N-(IMIDAZOLIDIN AND PERHYDRO-1,3-DIAZIN-2-ON-1-YL)-2-IMINOACETYLCEPHALOSPORINS OF THE SYN-FORM, AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1984-07-25 EP claimed
EP-0041655-A2 2-(2-Amino-thiazol-4-yl)-N-(imidazolidin and perhydro-1,3-diazin-2-on-1-yl)-2-iminoacetylcephalosporins of the syn-form, and process for their preparation BAYER AG (DE) 1981-12-16 EP claimed
US-5585485-A Cephalosporin intermediate products BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1996-12-17 US disclosed
US-5484928-A 2-(2-aminothiazol-4-yl)-2-oxoacetic acid derivatives BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1996-01-16 US disclosed
EP-0312844-B1 Cephalosporin intermediates, process for their preparation and their use BIOCHEMIE GMBH (AT) 1994-06-22 EP disclosed
EP-0185679-B1 INTERMEDIARY PRODUCTS OF CEPHALOSPORINE, PREPARATION PROCESS THEREOF AND UTILIZATION THEREOF BIOCHEMIE Gesellschaft m.b.H. (AT) 1991-08-28 EP disclosed
EP-0423837-A2 Cephalosporin intermediates and their utilisation BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1991-04-24 EP disclosed
EP-0312844-A1 Cephalosporin intermediates, process for their preparation and their use BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1989-04-26 EP disclosed
EP-0086556-B1 PROCESS FOR PREPARING (3S)-3-(((2-AMINO-4-THIAZOLYL)((1-CARBOXY-1-METHYLETHOXY)IMINO)-ACETYL)AMINO)-2-OXO-1-AZETIDINESULFONIC ACID AND 4-SUBSTITUTED DERIVATIVES E.R. Squibb & Sons, Inc. (US) 1986-05-07 EP disclosed
WO-1985004659-A1 INTERMEDIARY PRODUCTS OF CEPHALOSPORINE, PREPARATION PROCESS THEREOF AND UTILIZATION THEREOF BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1985-10-24 WO disclosed
EP-0041655-B1 2-(2-AMINO-THIAZOL-4-YL)-N-(IMIDAZOLIDIN AND PERHYDRO-1,3-DIAZIN-2-ON-1-YL)-2-IMINOACETYLCEPHALOSPORINS OF THE SYN-FORM, AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1984-07-25 EP disclosed
US-4443374-A Process for preparing (3S)-3-[[(2-amino-4-thiazolyl)[(1-carboxy-1-methylethoxy)imino]-acetyl]amino]-2-oxo-1-azetidinesulfonic acid, and 4-substituted derivatives E. R. SQUIBB & SONS, INC. (US) 1984-04-17 US disclosed
EP-0086556-A1 Process for preparing (3S)-3-(((2-amino-4-thiazolyl)((1-carboxy-1-methylethoxy)imino)-acetyl)amino)-2-oxo-1-azetidinesulfonic acid and 4-substituted derivatives E.R. Squibb & Sons, Inc. (US) 1983-08-24 EP disclosed
EP-0041655-A2 2-(2-Amino-thiazol-4-yl)-N-(imidazolidin and perhydro-1,3-diazin-2-on-1-yl)-2-iminoacetylcephalosporins of the syn-form, and process for their preparation BAYER AG (DE) 1981-12-16 EP disclosed