SCHEMBL3343785

SCHEMBL3343785

CCc1ccc2nc(C)c(S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3)n2n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
CDK1 P06493 1/20 0.41
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 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
SCHEMBL12998975 0.85 MAPT (0.40) MAPTGLACYP1A2SMN1; SMN2ALDH1A1
SCHEMBL169995 0.82 GAA (0.47) GAACDK1MAPTTP53GLA
SCHEMBL13671262 0.81 GAA (0.42) GAACDK1MAPTTP53GLA
SCHEMBL14986247 0.79 GAA (0.43) GAACDK1MAPTTP53GLA
SCHEMBL3346749 0.78 GAA (0.48) GAACDK1MAPTTP53GLA
SCHEMBL9367810 0.78 GAA (0.53) GAACDK1MAPTTP53GLA
SCHEMBL3348166 0.78 GAA (0.46) GAACDK1MAPTTP53GLA
SCHEMBL9367730 0.77 GAA (0.48) GAACDK1MAPTTP53GLA
SCHEMBL9362787 0.76 GAA (0.46) GAACDK1MAPTTP53GLA
SCHEMBL27447465 0.75 GAA (0.54) GAACDK1MAPTTP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311588-A1 SYNERGISTIC HERBICIDAL COMBINATIONS COMPRISING TEMBOTRIONE BAYER CROPSCIENCE AG (DE) 2010-12-09 US claimed
US-20100304973-A1 HERBICIDAL COMBINATIONS COMPRISING TEFURYLTRIONE FOR USE IN RICE CROPS BAYER CROPSCIENCE AG (DE) 2010-12-02 US claimed
WO-2010136165-A2 HERBICIDE COMBINATIONS COMPRISING TEFURYLTRIONE FOR USE IN RICE CULTURES BAYER CROPSCIENCE AG (DE) 2010-12-02 WO claimed
US-8728977-B2 Herbicidal combinations comprising tefuryltrione for use in rice crops BAYER CROPSCIENCE AG (DE) 2014-05-20 US disclosed
US-8728977-B2 Herbicidal combinations comprising tefuryltrione for use in rice crops BAYER CROPSCIENCE AG (DE) 2014-05-20 US disclosed
US-8728977-B2 Herbicidal combinations comprising tefuryltrione for use in rice crops BAYER CROPSCIENCE AG (DE) 2014-05-20 US disclosed
US-8492313-B2 Synergistic herbicidal combinations comprising tembotrione BAYER CROPSCIENCE AG (DE) 2013-07-23 US disclosed
US-8399381-B2 Condensed heterocyclic sulfonyl urea compound, a herbicide containing the same, and a method for weed control using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-19 US disclosed
US-8399381-B2 Condensed heterocyclic sulfonyl urea compound, a herbicide containing the same, and a method for weed control using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-19 US disclosed
US-20100311588-A1 SYNERGISTIC HERBICIDAL COMBINATIONS COMPRISING TEMBOTRIONE BAYER CROPSCIENCE AG (DE) 2010-12-09 US disclosed
WO-2010136146-A2 SYNERGISTIC COMBINATIONS OF HERBICIDES COMPRISING TEMBOTRIONE BAYER CROPSCIENCE AG (DE) 2010-12-02 WO disclosed
WO-2010136165-A2 HERBICIDE COMBINATIONS COMPRISING TEFURYLTRIONE FOR USE IN RICE CULTURES BAYER CROPSCIENCE AG (DE) 2010-12-02 WO disclosed
US-7816526-B2 Condensed heterocyclic sulfonyl urea compound, a herbicide containing the same, and a method for weed control using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-19 US disclosed
US-7816526-B2 Condensed heterocyclic sulfonyl urea compound, a herbicide containing the same, and a method for weed control using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-19 US disclosed
US-7816526-B2 Condensed heterocyclic sulfonyl urea compound, a herbicide containing the same, and a method for weed control using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-19 US disclosed
US-20100160163-A1 Fused heterocyclic sulfonylurea compound, herbicide containing the same, and method for controlling weed with the same TANAKA YASUSHI 2010-06-24 US disclosed
US-20100160163-A1 Fused heterocyclic sulfonylurea compound, herbicide containing the same, and method for controlling weed with the same TANAKA YASUSHI 2010-06-24 US disclosed
EP-1466527-B1 FUSED HETEROCYCLIC SULFONYLUREA COMPOUND, HERBICIDE CONTAINING THE SAME, AND METHOD OF CONTROLLING WEED WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2008-07-16 EP disclosed
US-20050032650-A1 Fused heterocyclic sulfonylurea compound herbicide containing the same and method of controlling weed with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-02-10 US disclosed
EP-1466527-A1 FUSED HETEROCYCLIC SULFONYLUREA COMPOUND, HERBICIDE CONTAINING THE SAME, AND METHOD OF CONTROLLING WEED WITH THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2004-10-13 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 (4 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-20100311588-A1 SYNERGISTIC HERBICIDAL COMBINATIONS COMPRISING TEMBOTRIONE DDT, TUBB, TUBB3 GAA 378/4885CDK1 4040/4885MAPT 991/4885
US-20100160163-A1 Fused heterocyclic sulfonylurea compound, herbicide containing the same, and method for controlling weed with the same NOTUM, WEE1, DDT GAA 252/4885CDK1 3832/4885MAPT 4012/4885
US-20100304973-A1 HERBICIDAL COMBINATIONS COMPRISING TEFURYLTRIONE FOR USE IN RICE CROPS DDT, DHFR, HACL2 GAA 183/4885CDK1 4265/4885MAPT 1685/4885
US-20050032650-A1 Fused heterocyclic sulfonylurea compound herbicide containing the same and method of controlling weed with the same NOTUM, WEE1, DDT GAA 289/4885CDK1 3744/4885MAPT 4204/4885

“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.