SCHEMBL3500776

SCHEMBL3500776

CCS(=O)(=O)c1nc2ccncn2c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
CDK1 P06493 1/20 0.42
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 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
Sulfosulfuron SCHEMBL66574 0.86 GAA (0.49) GAACDK1MAPTTP53GLA
SCHEMBL3498696 0.85 GAA (0.51) GAACDK1MAPTTP53GLA
Sulfosulfuron SCHEMBL8476425 0.83 GAA (0.46) GAACDK1MAPTTP53GLA
SCHEMBL9517199 0.79 GAA (0.47) GAACDK1MAPTTP53GLA
SCHEMBL8461112 0.78 CDK2 (0.40) GAACDK1MAPTTP53GLA
Sulfosulfuron SCHEMBL14655515 0.76 GAA (0.39) GAACDK1MAPTTP53GLA
Sulfosulfuron SCHEMBL6429101 0.74 GAA (0.40) GAACDK1MAPTTP53GLA
SCHEMBL3346749 0.74 GAA (0.48) GAACDK1MAPTTP53GLA
SCHEMBL7189218 0.73 FBP1 (0.39) GAAMAPTTP53GLAKMT2A
SCHEMBL8478141 0.72 GAA (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476021-B2 2013-07-02 US disclosed
US-8426339-B2 Method of minimizing herbicidal injury BAYER CROPSCIENCE LP (US) 2013-04-23 US disclosed
US-20130005571-A1 METHOD OF MINIMIZING HERBICIDAL INJURY BAYER CROPSCIENCE LP (US) 2013-01-03 US disclosed
US-20100184079-A1 SOYBEAN EVENT 3560.4.3.5 AND COMPOSITIONS AND METHODS FOR THE IDENTIFICATION AND DETECTION THEREOF PIONEER HI-BRED INTERNATIONAL, INC. (US) 2010-07-22 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 (2 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-20100184079-A1 SOYBEAN EVENT 3560.4.3.5 AND COMPOSITIONS AND METHODS FOR THE IDENTIFICATION AND DETECTION THEREOF GMNN, DDX20, DPY30 GAA 900/4885CDK1 794/4885MAPT 1079/4885
US-20130005571-A1 METHOD OF MINIMIZING HERBICIDAL INJURY DDT, CBR3, AOX1 GAA 960/4885CDK1 4501/4885MAPT 4464/4885

“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.