SCHEMBL175121

SCHEMBL175121

CCCn1c(=O)c2sc3c(=O)n(CCC)c(=O)c3sc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE4A P27815 5/20 0.36
ADORA2A P29274 5/20 0.36
PDE4B Q07343 5/20 0.36
PDE4C Q08493 5/20 0.36
PDE4D Q08499 5/20 0.36
ADORA2B P29275 3/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1074421 0.84 L3MBTL1 (0.46) GSK3BL3MBTL1TDP1ADORA2BCYP3A4
SCHEMBL1074044 0.79 GSK3B (0.39) GSK3AGSK3BL3MBTL1PDE4BADORA2B
SCHEMBL175529 0.76 TDP1 (0.43) GSK3BL3MBTL1TDP1PDE4AADORA2A
SCHEMBL1729644 0.76 ADORA2B (0.40) L3MBTL1PDE4AADORA2APDE4BPDE4C
SCHEMBL23348857 0.76 L3MBTL1 (0.40) GSK3AGSK3BL3MBTL1TDP1PDE4A
SCHEMBL1746830 0.75 ALDH1A1 (0.36) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8318422 0.70 TNF (0.36) GSK3AGSK3BSIRT1SIRT3SIRT5
SCHEMBL174588 0.69 GSK3A (0.40) GSK3AGSK3B
SCHEMBL331903 0.69 PDE4A (0.47) GSK3AGSK3BSIRT1SIRT3SIRT5
SCHEMBL1729815 0.69 HTT (0.42) GSK3AGSK3BSIRT1SIRT3SIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160024108-A1 USE OF DITHIINE-TETRACARBOXIMIDES FOR CONTROLLING BACTERIAL HARMFUL ORGANISMS IN USEFUL PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-28 US claimed
EP-2967068-A1 USE OF DITHIINE-TETRACARBOXIMIDES FOR CONTROLLING BACTERIAL HARMFUL ORGANISMS IN USEFUL PLANTS Bayer CropScience Aktiengesellschaft (DE) 2016-01-20 EP claimed
US-9221837-B2 Process for preparing dithiine-tetracarboximides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-29 US claimed
WO-2014139897-A1 USE OF DITHIINE-TETRACARBOXIMIDES FOR CONTROLLING BACTERIAL HARMFUL ORGANISMS IN USEFUL PLANTS BAYER CROPSCIENCE AG (DE) 2014-09-18 WO claimed
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-28 US claimed
EP-2386203-B1 Use of dithiin tetracarboximides for combating phytopathogenic fungi BAYER CROPSCIENCE AG (DE) 2013-11-20 EP claimed
US-8450360-B2 Process for preparing dithiine-tetracarboximides BAYER CROPSCIENCE AG (DE) 2013-05-28 US claimed
EP-2454939-A1 Post-harvest treatment Bayer CropScience AG (DE) 2012-05-23 EP claimed
US-20110280958-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2011-11-17 US claimed
US-20110269973-A1 Process for Preparing Dithiine-tetracarboximides BAYER CROPSCIENCE AG (DE) 2011-11-03 US claimed
EP-2828268-B1 METHOD FOR PRODUCING DITHIIN TETRACARBOXIMIDES BAYER CROPSCIENCE AG (DE) 2016-12-14 EP disclosed
US-20160286810-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AG (DE) 2016-10-06 US disclosed
EP-2558473-B1 METHOD FOR PRODUCING DITHIIN TETRACARBOXIMIDES BAYER IP GMBH (DE) 2016-09-07 EP disclosed
US-20160024108-A1 USE OF DITHIINE-TETRACARBOXIMIDES FOR CONTROLLING BACTERIAL HARMFUL ORGANISMS IN USEFUL PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-28 US disclosed
EP-2967068-A1 USE OF DITHIINE-TETRACARBOXIMIDES FOR CONTROLLING BACTERIAL HARMFUL ORGANISMS IN USEFUL PLANTS Bayer CropScience Aktiengesellschaft (DE) 2016-01-20 EP disclosed
US-20110118115-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
WO-2011029551-A2 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2011-03-17 WO disclosed
US-20110064827-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-03-17 US disclosed
US-20100120884-A1 USE OF DITHIINE-TETRACARBOXIMIDES FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2010-05-13 US disclosed
WO-2010043319-A1 USE OF DITHIIN TETRACARBOXIMIDES FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-04-22 WO 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 (8 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-20110064827-A1 Active compound combinations TST, DPM1, DDT GSK3A 1379/4885GSK3B 1024/4885SIRT1 513/4885
US-20110118115-A1 Active compound combinations AADAC, ACACA, DDT GSK3A 1921/4885GSK3B 1496/4885SIRT1 115/4885
US-20110269973-A1 Process for Preparing Dithiine-tetracarboximides TMT1A, TST, DTYMK GSK3A 4823/4885GSK3B 4755/4885SIRT1 3075/4885
US-20160286810-A1 ACTIVE COMPOUND COMBINATIONS TST, DPM1, BROX GSK3A 1182/4885GSK3B 838/4885SIRT1 364/4885
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR DDT, ING2, DNER GSK3A 2074/4885GSK3B 2076/4885SIRT1 1050/4885
US-20100120884-A1 USE OF DITHIINE-TETRACARBOXIMIDES FOR CONTROLLING PHYTOPATHOGENIC FUNGI TST, TTI1, DPM1 GSK3A 3513/4885GSK3B 3299/4885SIRT1 1985/4885
US-20110280958-A1 Active Compound Combinations TST, QDPR, SQOR GSK3A 987/4885GSK3B 708/4885SIRT1 343/4885
US-20160024108-A1 USE OF DITHIINE-TETRACARBOXIMIDES FOR CONTROLLING BACTERIAL HARMFUL ORGANISMS IN USEFUL PLANTS MGAM, PGLS, DGKI GSK3A 2133/4885GSK3B 2909/4885SIRT1 1228/4885

“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.