SCHEMBL3259395

SCHEMBL3259395

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(C3=NOC(C)CO3)c(C)nn2C)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
CDK1 P06493 1/20 0.36
CYP1A2 P05177 1/20 0.34
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NLRP3 Q96P20 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3257630 0.87 GAA (0.42) GAACDK1CYP1A2TP53GLA
SCHEMBL13326204 0.85 GAA (0.45) GAACDK1CYP1A2TP53GLA
SCHEMBL13326073 0.81 GAA (0.40) GAACDK1CYP1A2TP53GLA
SCHEMBL3260518 0.80 GAA (0.42) GAACDK1CYP1A2TP53GLA
SCHEMBL3083386 0.78 GAA (0.43) GAACDK1CYP1A2TP53GLA
SCHEMBL31072437 0.78 GAA (0.41) GAACDK1CYP1A2TP53GLA
SCHEMBL2776209 0.78 GAA (0.41) GAACDK1CYP1A2TP53GLA
SCHEMBL3259350 0.77 GAA (0.39) GAACDK1CYP1A2TP53GLA
SCHEMBL3302270 0.76 GAA (0.53) GAACDK1CYP1A2TP53GLA
SCHEMBL9195558 0.76 GAA (0.53) GAACDK1CYP1A2TP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709636-B2 Pyrazole sulfonylurea compound and herbicide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-05-04 US disclosed
US-7709636-B2 Pyrazole sulfonylurea compound and herbicide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-05-04 US disclosed
US-20100016584-A1 Pyrazole sulfonylurea compound and herbicide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-21 US disclosed
US-20100016584-A1 Pyrazole sulfonylurea compound and herbicide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-21 US disclosed
US-7557067-B2 Pyrazole sulfonylurea compound and herbicide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-07-07 US disclosed
US-7557067-B2 Pyrazole sulfonylurea compound and herbicide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-07-07 US disclosed
US-20080064600-A1 Pyrazole Sulfonylurea Compound and Herbicide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-03-13 US disclosed
EP-1748047-A1 PYRAZOLE SULFONYLUREA COMPOUND AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2007-01-31 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 (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-20100016584-A1 Pyrazole sulfonylurea compound and herbicide PDXK, HCN3, SLC6A9 GAA 2575/4885CDK1 745/4885CYP1A2 1095/4885
US-20080064600-A1 Pyrazole Sulfonylurea Compound and Herbicide GLP1R, MSRB3, PDXK GAA 2715/4885CDK1 1925/4885CYP1A2 646/4885

“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.