SCHEMBL174438

SCHEMBL174438

O=c1c2sc3c(=O)n(C4CCCCC4)c(=O)c3sc2c(=O)n1C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
ALDH1A1 P00352 6/20 0.42
MAPT P10636 3/20 0.42
PKM P14618 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ATM Q13315 2/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL1728158 0.88 ALDH1A1 (0.33) GSK3AGSK3BALDH1A1MAPTKMT2A
SCHEMBL12660974 0.78 ALDH1A1 (0.47) GSK3AGSK3BALDH1A1MAPTPKM
SCHEMBL23310487 0.73 ALDH1A1 (0.47) GSK3AGSK3BALDH1A1MAPTPKM
SCHEMBL11847806 0.72 GSK3A (0.54) GSK3AGSK3BALDH1A1MAPTPKM
SCHEMBL16004440 0.69 GSK3A (0.50) GSK3AGSK3BALDH1A1MAPTPKM
SCHEMBL20225070 0.69 ALDH1A1 (0.39) GSK3AGSK3BALDH1A1MAPTPKM
SCHEMBL12895942 0.68 ALOX15 (0.47) GSK3AGSK3BALDH1A1MAPTPKM
SCHEMBL13259494 0.68 ALDH1A1 (0.44) GSK3AGSK3BALDH1A1MAPTPKM
SCHEMBL10807279 0.67 ALDH1A1 (0.73) GSK3AGSK3BALDH1A1MAPTPKM
SCHEMBL20808155 0.66 ALDH1A1 (0.49) ALDH1A1MAPTPKMKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221837-B2 Process for preparing dithiine-tetracarboximides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-29 US claimed
US-8450360-B2 Process for preparing dithiine-tetracarboximides BAYER CROPSCIENCE AG (DE) 2013-05-28 US claimed
US-20110269973-A1 Process for Preparing Dithiine-tetracarboximides BAYER CROPSCIENCE AG (DE) 2011-11-03 US claimed
EP-2558473-B1 METHOD FOR PRODUCING DITHIIN TETRACARBOXIMIDES BAYER IP GMBH (DE) 2016-09-07 EP disclosed
EP-2828268-A1 METHOD FOR PRODUCING DITHIINE TETRACARBOXIMIDES Bayer CropScience AG (DE) 2015-01-28 EP disclosed
US-20140296536-A1 METHOD FOR PRODUCING DITHIINE TETRACARBOXIMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-02 US disclosed
EP-2611814-B1 METHOD FOR PRODUCING DITHIIN-TETRACARBOXIMIDES BAYER IP GMBH (DE) 2014-09-24 EP disclosed
US-20140256956-A1 METHOD FOR PRODUCING DITHINE TETRACARBOXIMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
EP-2766371-A1 METHOD FOR PRODUCING DITHIINE TETRACARBOXIMIDES Bayer Intellectual Property GmbH (DE) 2014-08-20 EP disclosed
EP-2766372-A1 METHOD FOR PRODUCING DITHIINE TETRACARBOXIMIDES Bayer Intellectual Property GmbH (DE) 2014-08-20 EP disclosed
WO-2013139736-A1 METHOD FOR PRODUCING DITHIINE TETRACARBOXIMIDES BAYER CROPSCIENCE AG (DE) 2013-09-26 WO disclosed
EP-2641908-A1 Method for producing dithiin tetracarboximides Bayer CropScience AG (DE) 2013-09-25 EP disclosed
EP-2611814-A1 METHOD FOR PRODUCING DITHIIN-TETRACARBOXIMIDES Bayer Intellectual Property GmbH (DE) 2013-07-10 EP disclosed
US-8450360-B2 Process for preparing dithiine-tetracarboximides BAYER CROPSCIENCE AG (DE) 2013-05-28 US disclosed
WO-2013053783-A1 METHOD FOR PRODUCING DITHIINE TETRACARBOXIMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-18 WO disclosed
WO-2013053784-A1 METHOD FOR PRODUCING DITHIINE TETRACARBOXIMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-18 WO disclosed
EP-2558473-A1 METHOD FOR PRODUCING DITHIINE TETRACARBOXIMIDES Bayer CropScience AG (DE) 2013-02-20 EP disclosed
WO-2012028588-A1 METHOD FOR PRODUCING DITHIIN-TETRACARBOXIMIDES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed
US-20110269973-A1 Process for Preparing Dithiine-tetracarboximides BAYER CROPSCIENCE AG (DE) 2011-11-03 US disclosed
WO-2011128263-A1 METHOD FOR PRODUCING DITHIINE TETRACARBOXIMIDES BAYER CROPSCIENCE AG (DE) 2011-10-20 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 (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-20140256956-A1 METHOD FOR PRODUCING DITHINE TETRACARBOXIMIDES TST, TXNDC5, TXN GSK3A 4670/4885GSK3B 4610/4885ALDH1A1 2104/4885
US-20110269973-A1 Process for Preparing Dithiine-tetracarboximides TMT1A, TST, DTYMK GSK3A 4823/4885GSK3B 4755/4885ALDH1A1 3929/4885
US-20140296536-A1 METHOD FOR PRODUCING DITHIINE TETRACARBOXIMIDES TST, TXNDC5, TMT1A GSK3A 4574/4885GSK3B 4511/4885ALDH1A1 2833/4885

“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.