SCHEMBL3863064

SCHEMBL3863064

[CH2]C(S)(S)CCCCCC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
GGPS1 O95749 6/20 0.39
FDPS P14324 9/20 0.38
SMPD1 P17405 2/20 0.37
CES2 O00748 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37

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
SCHEMBL3864986 0.97
SCHEMBL3862846 0.88
SCHEMBL3339267 0.78
SCHEMBL10944787 0.77 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL10947357 0.77 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL10949084 0.77 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL7075880 0.77 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL10946114 0.77 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL10944511 0.77 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL7071249 0.77 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009136965-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. (US) 2009-11-12 WO disclosed
US-20090281054-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. 2009-11-12 US disclosed
US-20090149444-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-06-11 US disclosed
US-7514475-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-04-07 US disclosed
US-7504437-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US disclosed
US-7504393-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US disclosed
US-20080255095-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2008-10-16 US disclosed
EP-1206937-B1 NITROIMIDAZOLE EXTERNAL PREPARATIONS FOR THE TREATMENT OF ATOPIC DERMATITIS SHOEI CO LTD (JP) 2008-01-23 EP disclosed
EP-1362844-B1 BENZYLAMINE ANALOGUE BTG INT LTD (GB) 2007-12-05 EP disclosed
US-20070037793-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders BTG INTERNATIONAL LIMITED (GB) 2007-02-15 US disclosed
US-6844173-B2 Strain of Streptomyces griseus SANKYO COMPANY, LIMITED (JP) 2005-01-18 US disclosed
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants SANKYO COMPANY, LIMITED (JP) 2004-04-08 US disclosed
EP-1362844-A1 BENZYLAMINE ANALOGUE Sankyo Company, Limited (JP) 2003-11-19 EP disclosed
EP-1319666-A1 Novel antibacterial compounds Sankyo Company, Limited (JP) 2003-06-18 EP disclosed
EP-1319406-A1 Novel antibacterial compounds Sankyo Company, Limited (JP) 2003-06-18 EP disclosed
US-20030092754-A1 External preparation for skin diseases containing nitroimidazole SHOEI CO., LTD. (JP) 2003-05-15 US disclosed
US-20030069204-A1 Strain of streptomyces SANKYO COMPANY LIMITED (JP) 2003-04-10 US disclosed
US-6472384-B1 Antimicrobial compounds SANKYO COMPANY, LIMITED (JP) 2002-10-29 US disclosed
EP-1206937-A1 NITROIMIDAZOLE EXTERNAL PREPARATIONS FOR DERMATOSIS SHOEI CO., LTD. (JP) 2002-05-22 EP disclosed
EP-1095947-A1 NOVEL ANTIBACTERIAL COMPOUNDS Sankyo Company Limited (JP) 2001-05-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090281054-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES TTPA, PHOSPHO1, CAPG TSHR 3262/4885THRB 3825/4885GGPS1 9/4885
US-20070037793-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders CHRNA4, SLC6A4, DRD4 TSHR 236/4885THRB 274/4885GGPS1 4145/4885
US-20030069204-A1 Strain of streptomyces O60361, CYP8B1, MRPS34 TSHR 3757/4885THRB 3944/4885GGPS1 147/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 TSHR 1284/4885THRB 1497/4885GGPS1 3144/4885
US-20030092754-A1 External preparation for skin diseases containing nitroimidazole IL4I1, NSD1, CUTA TSHR 4183/4885THRB 4557/4885GGPS1 2256/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 TSHR 89/4885THRB 388/4885GGPS1 4349/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 TSHR 442/4885THRB 1502/4885GGPS1 4595/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.