SCHEMBL1965010

SCHEMBL1965010

CCn1nc(C)c(C(=O)c2ccc(C(F)(F)F)cc2S(C)(=O)=O)c1O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.38
NR1I2 O75469 1/20 0.38
PTGDR2 Q9Y5Y4 7/20 0.35
CRHR1 P34998 2/20 0.35
PDE2A O00408 1/20 0.34
DDR1 Q08345 1/20 0.33
FPR1 P21462 1/20 0.33
PTGER4 P35408 1/20 0.33
S1PR1 P21453 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
SCHEMBL119221 0.86 CACNA1B (0.41) CACNA1BNR1I2PDE2A
SCHEMBL12770861 0.85 FPR1 (0.38) PTGDR2FPR1
SCHEMBL5080803 0.85 CACNA1B (0.41) CACNA1BNR1I2PDE2A
SCHEMBL5077281 0.85 CACNA1B (0.41) CACNA1BNR1I2PDE2A
SCHEMBL7670266 0.81 FPR1 (0.40) CACNA1BNR1I2PTGDR2FPR1S1PR1
SCHEMBL5702316 0.81 CACNA1B (0.33) CACNA1BNR1I2PTGDR2CRHR1PDE2A
SCHEMBL1962808 0.81 MEN1 (0.39) CACNA1BNR1I2CRHR1S1PR1
SCHEMBL27589009 0.80 LMNA (0.36) PTGDR2CRHR1
SCHEMBL15892639 0.79 LMNA (0.40) PTGDR2PDE2AS1PR1
SCHEMBL24886354 0.77 ATM (0.38) CACNA1BNR1I2CRHR1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11202447-B2 Herbicides based on substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(thi)ones and 4-HPPD-inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2021-12-21 US disclosed
US-9102623-B2 Pyridinecarboxamides, useful-plant-protecting composition comprising them and processes for their preparation and their use BAYER CROPSCIENCE AG (DE) 2015-08-11 US disclosed
EP-2144879-B1 PYRIDON CARBOXAMIDES, AGENTS CONTAINING THESE BUT NOT IMPACTING USEFUL PLANTS AND METHOD FOR THEIR MANUFACTURE AND APPLICATION BAYER IP GMBH (DE) 2015-04-08 EP disclosed
EP-2842426-A1 New herbicide based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and 4-HPPD inhibitors Bayer CropScience AG (DE) 2015-03-04 EP disclosed
CN-101674727-B Pyridonecarboxamides crop protection agents containing the same method for production and use thereof BAYER CROPSCIENCE AG 2014-06-25 CN disclosed
US-20140024531-A1 Novel Herbicides Based on Substituted Thien-3-yl-Sulphonylamino(thio)Carbonyl-Triazolin(thi)ones and 4-HPPD-Inhibitors BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-01-23 US disclosed
US-8530384-B2 Herbicides based on substituted thien-3-yl-sulphonylamino(thio) carbonyl-triazolin(thi)ones and 4-HPPD-inhibitors BAYER CROPSCIENCE AG (DE) 2013-09-10 US disclosed
WO-2013020985-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING SPECIFIC TETRAMIC ACID DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 WO disclosed
US-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE ZIEMER FRANK (DE) 2012-10-04 US disclosed
US-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE BAYER CROPSCIENCE AG (DE) 2011-06-16 US disclosed
CN-1949966-A Quinoxalin-2-one derivatives, crop protection agents comprising the same and method for production and use therof BAYER CROPSCIENCE GMBH (DE) 2007-04-18 CN disclosed
EP-1746880-A1 QUINOXALIN-2-ONE DERIVATIVES CROP PROTECTION AGENTS COMPRISING THE SAME AND METHOD FOR PRODUCTION AND USE THEROF Bayer CropScience GmbH (DE) 2007-01-31 EP disclosed
EP-1280778-B1 BENZOYLPYRAZOLS AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2006-08-02 EP disclosed
WO-2005112630-A1 QUINOXALIN-2-ONE DERIVATIVES CROP PROTECTION AGENTS COMPRISING THE SAME AND METHOD FOR PRODUCTION AND USE THEROF BAYER CROPSCIENCE GMBH (DE) 2005-12-01 WO disclosed
US-20050256000-A1 Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use BAYER CROPSCIENCE GMBH (DE) 2005-11-17 US disclosed
CN-1422258-A Benzoylpyrazoles and their use as herbicides BAYER CROP SCIENCE GMBH (DE) 2003-06-04 CN disclosed
EP-1280778-A1 BENZOYLPYRAZOLS AND THEIR USE AS HERBICIDES Bayer CropScience GmbH (DE) 2003-02-05 EP disclosed
US-6420317-B1 SELECTIVE CONTROL OF BROAD-LEAVED WEEDS AND WEED GRASSES IN CROPS OF USEFUL PLANTS, SUCH AS TRANSGENIC PLANTS AVENTIS CROPSCIENCE GMBH (DE) 2002-07-16 US disclosed
US-20020065200-A1 Benzoylpyrazoles and their use as herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2002-05-30 US disclosed
WO-2001074785-A1 BENZOYLPYRAZOLS AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2001-10-11 WO 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 (6 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-20050256000-A1 Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use QSOX1, CYC1, CBR3 CACNA1B 961/4885NR1I2 2285/4885PTGDR2 1716/4885
US-20140024531-A1 Novel Herbicides Based on Substituted Thien-3-yl-Sulphonylamino(thio)Carbonyl-Triazolin(thi)ones and 4-HPPD-Inhibitors HPD, DDT, TH CACNA1B 4548/4885NR1I2 1111/4885PTGDR2 1895/4885
US-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE QSOX1, PRDX2, NQO2 CACNA1B 809/4885NR1I2 1056/4885PTGDR2 1244/4885
US-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE CYC1, CYCS, CBR3 CACNA1B 791/4885NR1I2 1044/4885PTGDR2 2445/4885
US-11202447-B2 Herbicides based on substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(thi)ones and 4-HPPD-inhibitors HPD, DDT, TH CACNA1B 4556/4885NR1I2 1055/4885PTGDR2 1870/4885
US-20020065200-A1 Benzoylpyrazoles and their use as herbicides CYP2E1, CBR3, CYP1B1 CACNA1B 1131/4885NR1I2 123/4885PTGDR2 1050/4885

“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.