SCHEMBL2776209

SCHEMBL2776209

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(C3=NOCC(C)O3)c(Cl)nn2C)n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
CDK1 P06493 1/20 0.35
CYP1A2 P05177 1/20 0.33
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL31072437 1.00 GAA (0.41) GAACDK1CYP1A2TP53GLA
SCHEMBL15849213 0.95 GAA (0.37) GAACDK1
SCHEMBL3257630 0.91 GAA (0.42) GAACDK1CYP1A2TP53GLA
SCHEMBL27851615 0.89 FBP1 (0.34) GAA
SCHEMBL3260389 0.89 GAA (0.39) GAACDK1CYP1A2TP53GLA
SCHEMBL13326203 0.86 GAA (0.44) GAACDK1CYP1A2TP53GLA
SCHEMBL3259844 0.83 GAA (0.41) GAACDK1CYP1A2TP53GLA
SCHEMBL3260607 0.83 GAA (0.43) GAACDK1CYP1A2TP53GLA
SCHEMBL16797737 0.83 GAA (0.44) GAACDK1CYP1A2TP53GLA
SCHEMBL3257145 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11528906-B2 Pyrrolidinones as herbicides FMC CORPORATION (US) 2022-12-20 US claimed
EP-4094580-A1 HERBICIDAL COMPOSITIONS CONTAINING N-(1,3,4-OXADIAZOL-2-YL) ARYL CARBOXYLIC ACID AMIDES Bayer CropScience Aktiengesellschaft (DE) 2022-11-30 EP claimed
US-20220361496-A1 HERBICIDE COMPOSITIONS UPL Corporation Limited (MU) 2022-11-17 US claimed
US-20220275391-A1 METHODS OF USING ALS INHIBITOR HERBICIDES FOR CONTROL OF UNWANTED VEGETATION IN ALS INHIBITOR HERBICIDE TOLERANT BETA VULGARIS PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2022-09-01 US claimed
EP-2931034-B2 USE OF ALS INHIBITOR HERBICIDES FOR CONTROL OF UNWANTED VEGETATION IN ALS INHIBITOR HERBICIDE TOLERANT BETA VULGARIS PLANTS BAYER CROPSCIENCE AG (DE) 2022-04-27 EP claimed
EP-3137456-B1 PYRIDAZINONE HERBICIDES FMC CORP (US) 2021-06-02 EP claimed
US-10159249-B2 Use of 2-chloro-3-(methylsulfanyl)-N-(1-methyl-1H-tetrazol-5-yl)-4-(trifluoromethyl)benzamide or its salts for controlling unwanted plants in areas of transgenic crop plants being tolerant to HPPD inhibitor herbicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-12-25 US claimed
US-10118917-B2 Pyridazinone herbicides FMC CORPORATION 2018-11-06 US claimed
US-20170050953-A1 PYRIDAZINONE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2017-02-23 US claimed
US-20170027174-A1 Use of 2-chloro-3-(methylsulfanyl)-N-(1-methyl-1H-tetrazol-5-yl)-4-(trifluoromethyl)benzamide or its salts for controlling unwanted plants in areas of transgenic crop plants being tolerant to HPPD inhibitor herbicides BAYER CROSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-02 US claimed
US-20160242419-A1 Herbicidal Compositions Containing N-(1,3,4-oxadiazol-2-yl)-aryl Carboxylic Acid Amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-25 US claimed
WO-2015078828-A2 USE OF 2-CHLORO-3-(METHYLSULFANYL)-N-(1-METHYL-1H-TETRAZOL-5-YL)-4-(TRIFLUOROMETHYL)BENZAMIDE OR ITS SALTS FOR CONTROLLING UNWANTED PLANTS IN AREAS OF TRANSGENIC CROP PLANTS BEING TOLERANT TO HPPD INHIBITOR HERBICIDES BAYER CROPSCIENCE AG (DE) 2015-06-04 WO claimed
WO-2015059187-A1 HERBICIDAL COMPOSITIONS CONTAINING N-(1,3,4-OXADIAZOL-2-YL)-ARYL CARBOXYLIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2015-04-30 WO claimed
US-8728977-B2 Herbicidal combinations comprising tefuryltrione for use in rice crops BAYER CROPSCIENCE AG (DE) 2014-05-20 US claimed
US-8492313-B2 Synergistic herbicidal combinations comprising tembotrione BAYER CROPSCIENCE AG (DE) 2013-07-23 US claimed
US-20100311588-A1 SYNERGISTIC HERBICIDAL COMBINATIONS COMPRISING TEMBOTRIONE BAYER CROPSCIENCE AG (DE) 2010-12-09 US claimed
WO-2010136146-A2 SYNERGISTIC COMBINATIONS OF HERBICIDES COMPRISING TEMBOTRIONE BAYER CROPSCIENCE AG (DE) 2010-12-02 WO 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
WO-2010046423-A2 USE OF SULFONYLUREA HERBICIDES ON CULTIVATED PLANTS BASF SE (DE) 2010-04-29 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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 4040/4885CYP1A2 152/4885
US-20100304973-A1 HERBICIDAL COMBINATIONS COMPRISING TEFURYLTRIONE FOR USE IN RICE CROPS DDT, DHFR, HACL2 GAA 183/4885CDK1 4265/4885CYP1A2 340/4885
US-20170027174-A1 Use of 2-chloro-3-(methylsulfanyl)-N-(1-methyl-1H-tetrazol-5-yl)-4-(trifluoromethyl)benzamide or its salts for controlling unwanted plants in areas of transgenic crop plants being tolerant to HPPD inhibitor herbicides HPD, PGD, TKT GAA 109/4885CDK1 1195/4885CYP1A2 936/4885
US-20160242419-A1 Herbicidal Compositions Containing N-(1,3,4-oxadiazol-2-yl)-aryl Carboxylic Acid Amides AADAC, DDT, DNPH1 GAA 339/4885CDK1 1823/4885CYP1A2 81/4885
US-20170050953-A1 PYRIDAZINONE HERBICIDES CBR3, NOX5, NR5A2 GAA 3303/4885CDK1 533/4885CYP1A2 61/4885
US-11528906-B2 Pyrrolidinones as herbicides DDT, ARG1, PRMT1 GAA 1776/4885CDK1 208/4885CYP1A2 22/4885
US-20220275391-A1 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 2823/4885CYP1A2 3418/4885
US-10159249-B2 Use of 2-chloro-3-(methylsulfanyl)-N-(1-methyl-1H-tetrazol-5-yl)-4-(trifluoromethyl)benzamide or its salts for controlling unwanted plants in areas of transgenic crop plants being tolerant to HPPD inhibitor herbicides HPD, PGD, PHYKPL GAA 110/4885CDK1 837/4885CYP1A2 1107/4885
US-10118917-B2 Pyridazinone herbicides CBR3, NOX5, NR5A2 GAA 3303/4885CDK1 533/4885CYP1A2 61/4885

“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.