SCHEMBL987573

SCHEMBL987573

COc1cc(OC)nc(NC(=O)NS(=O)(=O)C2=C(C(=O)O)C(Cl)N(C)N2C)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
CDK1 P06493 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32

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
Halosulfuron SCHEMBL66216 0.73 GAA (0.52) GAACDK1CYP1A2MAPTTP53
SCHEMBL8380219 0.72 SMN1; SMN2 (0.34) CYP1A2KMT2ASMN1; SMN2TSHRMEN1
SCHEMBL7800046 0.72 GAA (0.61) GAACDK1CYP1A2MAPTTP53
SCHEMBL10670178 0.72 GAA (0.77) GAACDK1CYP1A2MAPTTP53
SCHEMBL8474705 0.72 GAA (0.53) GAACDK1CYP1A2MAPTTP53
SCHEMBL116670 0.72 GAA (0.53) GAACDK1CYP1A2MAPTTP53
SCHEMBL3302270 0.72 GAA (0.53) GAACDK1CYP1A2MAPTTP53
SCHEMBL9022252 0.71 GAA (0.52) GAACDK1CYP1A2MAPTTP53
SCHEMBL10859355 0.71 GAA (0.63) GAACDK1CYP1A2MAPTTP53
SCHEMBL8676026 0.71 GAA (0.63) GAACDK1CYP1A2MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237437-A1 Herbicidal Treatment Compositions and Methods for Improved Control of Undesired Vegetation in Rice Crops GOWAN COMERCIO INTERNACIONAL E SERVICOS L (PT) 2011-09-29 US claimed
WO-2010009005-A2 HERBICIDAL TREATMENT COMPOSITIONS AND METHODS FOR IMPROVED CONTROL OF UNDESIRED VEGETATION IN RICE CROPS GOWAN COMERCIO INTERNACIONAL E SERVICOS L (PT) 2010-01-21 WO claimed
EP-1453377-A1 HERBICIDES BASED ON SUBSTITUTED CARBOXYLIC ACID ANILIDES Bayer CropScience AG (DE) 2004-09-08 EP claimed
EP-1429612-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONE Bayer CropScience AG (DE) 2004-06-23 EP claimed
WO-2003047346-A1 HERBICIDES BASED ON SUBSTITUTED CARBOXYLIC ACID ANILIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-06-12 WO claimed
WO-2003026426-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONE BAYER CROPSCIENCE AG (DE) 2003-04-03 WO claimed
US-20110237437-A1 Herbicidal Treatment Compositions and Methods for Improved Control of Undesired Vegetation in Rice Crops GOWAN COMERCIO INTERNACIONAL E SERVICOS L (PT) 2011-09-29 US disclosed
EP-2301352-A1 Herbicide based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and dimethamid Bayer CropScience AG (DE) 2011-03-30 EP disclosed
EP-2279663-A2 Herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and mesotrione Bayer CropScience Aktiengesellschaft (DE) 2011-02-02 EP disclosed
EP-2272362-A2 Herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and mesosulfuron Bayer CropScience AG (DE) 2011-01-12 EP disclosed
EP-2272363-A2 Herbicide based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and metolachlor Bayer CropScience Aktiengesellschaft (DE) 2011-01-12 EP disclosed
EP-2272353-A2 Herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and dicamba Bayer CropScience AG (DE) 2011-01-12 EP disclosed
EP-2272365-A2 Herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and sulcotrione Bayer CropScience Aktiengesellschaft (DE) 2011-01-12 EP disclosed
EP-1893016-A2 WATER-IN-OIL SUSPOEMULSIONS Bayer CropScience AG (DE) 2008-03-05 EP disclosed
EP-1743527-A2 herbicides based on substituted carboxylic acid anilides Bayer CropScience Aktiengesellschaft (DE) 2007-01-17 EP disclosed
WO-2006114186-A2 WATER-IN-OIL SUSPOEMULSIONS BAYER CROPSCIENCE AG (DE) 2006-11-02 WO disclosed
EP-1453377-A1 HERBICIDES BASED ON SUBSTITUTED CARBOXYLIC ACID ANILIDES Bayer CropScience AG (DE) 2004-09-08 EP disclosed
US-20040132621-A1 Microemulsion concentrates BAYER CORPSCIENCE GMBH PATENTS AND LICENSING (DE) 2004-07-08 US disclosed
WO-2003047346-A1 HERBICIDES BASED ON SUBSTITUTED CARBOXYLIC ACID ANILIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-06-12 WO disclosed
US-5700475-A ACTIVE MATERIAL ENCLOSED IN AN INERT WATER-SOLUBLE WALL MATERIAL MONSANTO COMPANY (US) 1997-12-23 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-20110237437-A1 Herbicidal Treatment Compositions and Methods for Improved Control of Undesired Vegetation in Rice Crops AGPS, CYP4X1, AS3MT GAA 3505/4885CDK1 4832/4885CYP1A2 83/4885
US-20040132621-A1 Microemulsion concentrates LIPC, MGLL, SGMS2 GAA 1074/4885CDK1 4656/4885CYP1A2 631/4885

“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.