SCHEMBL1963180

SCHEMBL1963180

COCCOCCOCc1c(S(C)(=O)=O)ccc(C(=O)C2C(=O)CCCC2=O)c1Cl

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL1962532 0.91 CYP1A2 (0.34)
SCHEMBL12269385 0.88 ALDH1A1 (0.33)
Tembotrione SCHEMBL3762569 0.84 HPD (0.31)
Tembotrione SCHEMBL3225813 0.84 HPD (0.38)
Tembotrione SCHEMBL29352862 0.84 HPD (0.38)
Tembotrione SCHEMBL116424 0.84 HPD (0.38)
SCHEMBL1963115 0.84 HPD (0.31)
Tembotrione SCHEMBL20723452 0.83 HPD (0.37)
Tembotrione SCHEMBL20723428 0.83 HPD (0.37)
SCHEMBL12478106 0.83 HPD (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197387-A1 Herbicidal Composition SYNGENTA PARTICIPATIONS AG (CH) 2007-08-23 US claimed
EP-1689227-A2 HERBICIDAL COMPOSITION Syngenta Participations AG (CH) 2006-08-16 EP claimed
EP-1392117-B1 HERBICIDAL MIXTURE COMPRISING A BENZOYL DERIVATIVE, A FERTILIZER CONTAINING NITROGEN AND AN ADJUVANT BAYER CROPSCIENCE GMBH (DE) 2005-06-29 EP claimed
WO-2005055716-A2 HERBICIDAL COMPOSITION SYNGENTA PARTICIPATIONS AG (CH) 2005-06-23 WO claimed
US-6852674-B2 Herbicidal mixture comprising a benzoyl derivative, a fertilizer containing nitrogen and an adjuvant AVENTIS CROPSCIENCE GMBH (DE) 2005-02-08 US claimed
EP-1392117-A1 HERBICIDAL MIXTURE COMPRISING A BENZOYL DERIVATIVE, A FERTILIZER CONTAINING NITROGEN AND AN ADJUVANT Bayer CropScience GmbH (DE) 2004-03-03 EP claimed
US-20030104946-A1 Herbicidal mixture comprising a benzoyl derivative, a fertilizer containing nitrogen and an adjuvant. BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-06-05 US claimed
WO-2002091831-A1 HERBICIDAL MIXTURE COMPRISING A BENZOYL DERIVATIVE, A FERTILIZER CONTAINING NITROGEN AND AN ADJUVANT BAYER CROPSCIENCE GMBH (DE) 2002-11-21 WO claimed
US-9801374-B2 Active compound combinations comprising carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2017-10-31 US disclosed
US-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2908639-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES Bayer Cropscience AG (DE) 2015-08-26 EP 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
WO-2014060502-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-04-24 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
EP-1392117-B1 HERBICIDAL MIXTURE COMPRISING A BENZOYL DERIVATIVE, A FERTILIZER CONTAINING NITROGEN AND AN ADJUVANT BAYER CROPSCIENCE GMBH (DE) 2005-06-29 EP disclosed
US-6852674-B2 Herbicidal mixture comprising a benzoyl derivative, a fertilizer containing nitrogen and an adjuvant AVENTIS CROPSCIENCE GMBH (DE) 2005-02-08 US disclosed
EP-1392117-A1 HERBICIDAL MIXTURE COMPRISING A BENZOYL DERIVATIVE, A FERTILIZER CONTAINING NITROGEN AND AN ADJUVANT Bayer CropScience GmbH (DE) 2004-03-03 EP disclosed
US-20030104946-A1 Herbicidal mixture comprising a benzoyl derivative, a fertilizer containing nitrogen and an adjuvant. BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-06-05 US disclosed
WO-2002091831-A1 HERBICIDAL MIXTURE COMPRISING A BENZOYL DERIVATIVE, A FERTILIZER CONTAINING NITROGEN AND AN ADJUVANT BAYER CROPSCIENCE GMBH (DE) 2002-11-21 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 (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-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 CA12 3309/4885CA1 1753/4885CA2 743/4885
US-20070197387-A1 Herbicidal Composition DDT, HDHD5, DERL1 CA12 687/4885CA1 337/4885CA2 267/4885
US-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES AADAC, PFAS, CBR3 CA12 2297/4885CA1 768/4885CA2 467/4885
US-20030104946-A1 Herbicidal mixture comprising a benzoyl derivative, a fertilizer containing nitrogen and an adjuvant. DDT, WEE1, MYB CA12 4383/4885CA1 2405/4885CA2 603/4885

“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.