SCHEMBL1729644

SCHEMBL1729644

CCOCCn1c(=O)c2sc3c(=O)n(CCOCC)c(=O)c3sc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.40
ADORA2A P29274 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 5/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
PKM P14618 1/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL29048899 0.76 ADORA2A (0.49) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL1074044 0.75 GSK3B (0.39) ADORA2BPDE4BHPGDMAPK1L3MBTL1
SCHEMBL13133746 0.68 ALDH1A1 (0.44) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL13562489 0.67 RGS4 (0.73) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9256217 0.65 ADORA2A (0.41) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL1729815 0.65 HTT (0.42) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL2614955 0.63 ADORA2A (0.38) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL749725 0.63 POLB (0.38) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL277642 0.63 MGLL (0.72) ADORA2BADORA2AALDH1A1HPGDMAPK1
SCHEMBL174588 0.62 GSK3A (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386203-B1 Use of dithiin tetracarboximides for combating phytopathogenic fungi BAYER CROPSCIENCE AG (DE) 2013-11-20 EP claimed
EP-2386203-A2 Use of dithiin tetracarboximides for combating phytopathogenic fungi Bayer CropScience AG (DE) 2011-11-16 EP claimed
US-8040455-B2 Display device and information processing device having the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-10-18 US claimed
US-9095140-B2 Use of dithiine-tetracarboximides for controlling phytopathogenic fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-20150065551-A1 Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-05 US disclosed
US-8865759-B2 Use of dithiine-tetracarboximides for controlling phytopathogenic fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-21 US disclosed
EP-2386203-B1 Use of dithiin tetracarboximides for combating phytopathogenic fungi BAYER CROPSCIENCE AG (DE) 2013-11-20 EP disclosed
US-20110319462-A1 Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi BAYER CROPSCIENCE AG 2011-12-29 US disclosed
EP-2271219-B1 USE OF DITHIIN TETRACARBOXIMIDES FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-11-23 EP disclosed
EP-2386203-A2 Use of dithiin tetracarboximides for combating phytopathogenic fungi Bayer CropScience AG (DE) 2011-11-16 EP disclosed
US-8040455-B2 Display device and information processing device having the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-10-18 US disclosed
US-20100120884-A1 USE OF DITHIINE-TETRACARBOXIMIDES FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2010-05-13 US 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 (3 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-20100120884-A1 USE OF DITHIINE-TETRACARBOXIMIDES FOR CONTROLLING PHYTOPATHOGENIC FUNGI TST, TTI1, DPM1 ADORA2B 4826/4885ADORA2A 4793/4885PDE4A 4074/4885
US-20110319462-A1 Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi TST, TTI1, DPM1 ADORA2B 4826/4885ADORA2A 4793/4885PDE4A 4074/4885
US-20150065551-A1 Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi TST, TTI1, DPM1 ADORA2B 4826/4885ADORA2A 4793/4885PDE4A 4074/4885

“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.