SCHEMBL1729618

SCHEMBL1729618

O=C(O)Cn1c(=O)c2sc3c(=O)n(CC(=O)O)c(=O)c3sc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.42
GLA P06280 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.35
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIA1 P42261 2/20 0.35
GRIA2 P42262 2/20 0.35
GRIA3 P42263 2/20 0.35
GRIA4 P48058 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL435819 0.82
SCHEMBL1729797 0.74 FABP4 (0.44) APEX1KDM4EHSD17B10
SCHEMBL11800863 0.71 ALDH1A1 (0.52) APEX1GLAMEN1KMT2AKDM4E
SCHEMBL677187 0.71 APEX1 (0.62) APEX1GLAMEN1KMT2AKDM4E
SCHEMBL6910658 0.70
SCHEMBL24439070 0.66 ALDH1A1 (0.46) APEX1GLAMEN1KMT2AKDM4E
SCHEMBL7337432 0.65 APEX1 (0.45) APEX1GLAMEN1KMT2AKDM4E
SCHEMBL18180193 0.64 APEX1 (0.77) APEX1GLAMEN1KMT2AKDM4E
SCHEMBL24439301 0.63 GRIA1 (0.46) APEX1GLAMEN1KMT2AKDM4E
SCHEMBL173508 0.62 HSD17B10 (0.64) KDM4EHSD17B10

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 APEX1 239/4885GLA 3341/4885MEN1 1549/4885
US-20110319462-A1 Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi TST, TTI1, DPM1 APEX1 239/4885GLA 3341/4885MEN1 1549/4885
US-20150065551-A1 Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi TST, TTI1, DPM1 APEX1 239/4885GLA 3341/4885MEN1 1549/4885

“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.