SCHEMBL1963503

SCHEMBL1963503

CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1OCC1CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.35
SCN9A Q15858 3/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 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
SCHEMBL1963696 0.90 ALDH1A1 (0.34) PDE4DALDH1A1MAPK1HTT
SCHEMBL6437226 0.89 PTGS1 (0.34) PDE4DSCN9APTGS1PTGS2ALDH1A1
SCHEMBL8092645 0.88 ALDH1A1 (0.44) ALDH1A1MAPK1HTT
SCHEMBL6058001 0.87 SCN9A (0.35) SCN9AALDH1A1MAPK1HTT
SCHEMBL30466680 0.86 SCN9A (0.40) SCN9ABRD4ALDH1A1MAPK1HTT
SCHEMBL27512667 0.84 SCN9A (0.39) PDE4DSCN9A
SCHEMBL9134805 0.82 HPD (0.37)
SCHEMBL24375559 0.81 GNRHR (0.32) ALDH1A1MAPK1HTT
SCHEMBL30230145 0.81 ALDH1A1 (0.31) ALDH1A1MAPK1HTT
SCHEMBL8848046 0.79 ALDH1A1 (0.44) ALDH1A1MAPK1HTT

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
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
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
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-2675277-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR Bayer Intellectual Property GmbH (DE) 2013-12-25 EP disclosed
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-28 US 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
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
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
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 (5 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 PDE4D 3888/4885SCN9A 1210/4885PTGS1 989/4885
US-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE CYC1, CYCS, CBR3 PDE4D 2872/4885SCN9A 2596/4885PTGS1 1144/4885
US-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES AADAC, PFAS, CBR3 PDE4D 3419/4885SCN9A 3879/4885PTGS1 2212/4885
US-20030104946-A1 Herbicidal mixture comprising a benzoyl derivative, a fertilizer containing nitrogen and an adjuvant. DDT, WEE1, MYB PDE4D 1773/4885SCN9A 2777/4885PTGS1 2229/4885
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR DDT, ING2, DNER PDE4D 4247/4885SCN9A 4500/4885PTGS1 2371/4885

“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.