SCHEMBL4582813

SCHEMBL4582813

COc1cc(Cl)nc(NC(=O)NS(=O)(=O)c2ncccc2C2=NOCCO2)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
CDK1 P06493 1/20 0.35
MAPT P10636 2/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 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
SCHEMBL939859 0.95 GAA (0.47) GAACDK1MAPTKMT2ATP53
Ammonia Solution, Strong SCHEMBL939852 0.94 GAA (0.46) GAACDK1MAPTKMT2ATP53
SCHEMBL15244182 0.92 GAA (0.42) GAACDK1MAPTKMT2ATP53
Isopropylamine SCHEMBL939850 0.91 GAA (0.43) GAACDK1MAPTKMT2ATP53
SCHEMBL15244219 0.90 KMT2A (0.40) GAAKMT2ATP53ALDH1A1KDM4E
SCHEMBL15695214 0.89 GAA (0.40) GAACDK1MAPTKMT2ATP53
SCHEMBL15499805 0.89 GAA (0.40) GAACDK1MAPTKMT2ATP53
Monoethanolamine SCHEMBL940690 0.89 GAA (0.42) GAACDK1MAPTKMT2ATP53
Diethanolamine SCHEMBL971552 0.89 GAA (0.42) GAACDK1MAPTKMT2ATP53
Trolamine SCHEMBL1009951 0.89 GAA (0.42) GAACDK1MAPTKMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544426-B2 Methods of using ALS inhibitor herbicides for control of unwanted vegetation in ALS inhibitor herbicide tolerant beta vulgaris plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2020-01-28 US disclosed
US-9686994-B2 Use of ALS inhibitor herbicides for control of unwanted vegetation in ALS inhibitor herbicide tolerant beta vulgaris plants BAYER CROPSCIENCE AG (DE) 2017-06-27 US disclosed
US-9686994-B2 Use of ALS inhibitor herbicides for control of unwanted vegetation in ALS inhibitor herbicide tolerant beta vulgaris plants BAYER CROPSCIENCE AG (DE) 2017-06-27 US disclosed
US-9370183-B2 Use of ALS inhibitor herbicides for control of unwanted vegetation in ALS inhibitor herbicide tolerant Brassica, such as B. napus, plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-21 US disclosed
US-9370183-B2 Use of ALS inhibitor herbicides for control of unwanted vegetation in ALS inhibitor herbicide tolerant Brassica, such as B. napus, plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-21 US disclosed
US-20150313237-A1 USE OF ALS INHIBITOR HERBICIDES FOR CONTROL OF UNWANTED VEGETATION IN ALS INHIBITOR HERBICIDE TOLERANT BETA VULGARIS PLANTS BAYER CROPSCIENCE AG (DE) 2015-11-05 US disclosed
US-20150313237-A1 USE OF ALS INHIBITOR HERBICIDES FOR CONTROL OF UNWANTED VEGETATION IN ALS INHIBITOR HERBICIDE TOLERANT BETA VULGARIS PLANTS BAYER CROPSCIENCE AG (DE) 2015-11-05 US disclosed
US-20150089682-A1 ALS Inhibitor Herbicide Tolerant B. Napus Mutants BASF AGRICULTURAL SOLUTIONS SEED, US LLC 2015-03-26 US disclosed
US-20150089682-A1 ALS Inhibitor Herbicide Tolerant B. Napus Mutants BASF AGRICULTURAL SOLUTIONS SEED, US LLC 2015-03-26 US disclosed
US-20140135219-A1 USE OF ALS INHIBITOR HERBICIDES FOR CONTROL OF UNWANTED VEGETATION IN ALS INHIBITOR HERBICIDE TOLERANT BRASSICA, SUCH AS B. NAPUS, PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-15 US disclosed
US-20140135219-A1 USE OF ALS INHIBITOR HERBICIDES FOR CONTROL OF UNWANTED VEGETATION IN ALS INHIBITOR HERBICIDE TOLERANT BRASSICA, SUCH AS B. NAPUS, PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-15 US disclosed
US-20130190179-A1 USE OF ALS INHIBITOR HERBICIDES FOR CONTROL OF UNWANTED VEGETATION IN ALS INHIBITOR HERBICIDE TOLERANT BETA VULGARIS PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
EP-1961305-A1 Use of sulfonylureas for controlling weeds Bayer CropScience AG (DE) 2008-08-27 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-20140135219-A1 USE OF ALS INHIBITOR HERBICIDES FOR CONTROL OF UNWANTED VEGETATION IN ALS INHIBITOR HERBICIDE TOLERANT BRASSICA, SUCH AS B. NAPUS, PLANTS BROX, HACL2, GLO1 GAA 30/4885CDK1 2581/4885MAPT 138/4885
US-20150313237-A1 USE OF ALS INHIBITOR HERBICIDES FOR CONTROL OF UNWANTED VEGETATION IN ALS INHIBITOR HERBICIDE TOLERANT BETA VULGARIS PLANTS LCT, GLO1, CAT GAA 15/4885CDK1 1967/4885MAPT 58/4885
US-20130190179-A1 USE OF ALS INHIBITOR HERBICIDES FOR CONTROL OF UNWANTED VEGETATION IN ALS INHIBITOR HERBICIDE TOLERANT BETA VULGARIS PLANTS CAT, HTT, GLO1 GAA 14/4885CDK1 2284/4885MAPT 70/4885
US-10544426-B2 Methods of using ALS inhibitor herbicides for control of unwanted vegetation in ALS inhibitor herbicide tolerant beta vulgaris plants LCT, HTT, GLO1 GAA 32/4885CDK1 2823/4885MAPT 50/4885

“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.