SCHEMBL985555

SCHEMBL985555

CCC(Oc1cc(-n2ncc(C(F)(F)F)c(C)c2=O)c(F)cc1Cl)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.38
PPARD Q03181 2/20 0.38
PPOX P50336 5/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.34
DHODH Q02127 5/20 0.34
PPARA Q07869 3/20 0.33
CCR1 P32246 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
SCHEMBL4679075 0.93 DHODH (0.38) PPARGPPARDPPOXDHODHCCR1
SCHEMBL4681631 0.91 PPOX (0.35) PPARGPPARDPPOXDHODHPPARA
SCHEMBL4678284 0.90 PPOX (0.35) PPARGPPARDPPOXDHODHPPARA
SCHEMBL4682523 0.88 PPOX (0.41) PPARGPPARDPPOXPTGDR2DHODH
SCHEMBL31442383 0.86 PPOX (0.35) PPOXDHODH
SCHEMBL4677674 0.86 PPOX (0.37) PPOXDHODH
SCHEMBL4679803 0.85 PPOX (0.44) PPOXDHODH
SCHEMBL31442437 0.85 PPOX (0.44) PPOXDHODH
SCHEMBL4681148 0.85 PPOX (0.54) PPOXDHODH
SCHEMBL5969641 0.85 PPOX (0.36) PPOXDHODHCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243361-A2 Selective heteroaryloxy-acetamide-based herbicides Bayer CropScience AG (DE) 2010-10-27 EP claimed
EP-2243365-A2 Selective heteroaryloxy-acetamide-based herbicides Bayer CropScience AG (DE) 2010-10-27 EP claimed
EP-2243363-A2 Selective heteroaryloxy-acetamide-based herbicides Bayer CropScience AG (DE) 2010-10-27 EP claimed
EP-2243368-A2 Selective heteroaryloxy-acetamide-based herbicides Bayer CropScience AG (DE) 2010-10-27 EP claimed
EP-2243366-A2 Selective heteroaryloxy-acetamide-based herbicides Bayer CropScience AG (DE) 2010-10-27 EP claimed
EP-2243362-A2 Selective heteroaryloxy-acetamide-based herbicides Bayer CropScience AG (DE) 2010-10-27 EP claimed
EP-2243364-A2 Selective heteroaryloxy-acetamide-based herbicides Bayer CropScience AG (DE) 2010-10-27 EP claimed
EP-2243367-A2 Selective heteroaryloxy-acetamide-based herbicides Bayer CropScience AG (DE) 2010-10-27 EP claimed
EP-2243370-A2 Selective heteroaryloxy-acetamide-based herbicides Bayer CropScience AG (DE) 2010-10-27 EP claimed
EP-2243369-A2 Selective heteroaryloxy-acetamide-based herbicides Bayer CropScience AG (DE) 2010-10-27 EP claimed
EP-0850227-B1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2008-01-09 EP claimed
US-20060009359-A1 Selective heteroaryloxy-acetamide-based herbicides FEUCHT DIETER 2006-01-12 US claimed
EP-1561378-A2 Selective herbicides based upon arylsulfonylaminocarbonyltriazolinones Bayer CropScience AG (DE) 2005-08-10 EP claimed
EP-1552746-A1 Selective heteroaryloxy-acetamide-based herbicides Bayer CropScience AG (DE) 2005-07-13 EP claimed
WO-1997007104-A1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-02-27 WO claimed
US-8648014-B2 Herbicides containing substituted thien-3-yl-sulphonylaminio(thio)carbonyl-triazolin(ethi)ones BAYER CROPSCIENCE AG (DE) 2014-02-11 US disclosed
US-20120309622-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULPHONYLAMINIO(THIO)CARBONYL-TRIAZOLIN(ETHI)ONES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-06 US disclosed
EP-1303189-A1 ARYL SULFONYL AMINO CARBONYL TRIAZOLE BASED SELECTIVE HERBICIDES Bayer CropScience AG (DE) 2003-04-23 EP disclosed
WO-2002001957-A1 ARYL SULFONYL AMINO CARBONYL TRIAZOLE BASED SELECTIVE HERBICIDES BAYER CROPSCIENCE AG (DE) 2002-01-10 WO disclosed
WO-2001037652-A2 CARBAMOYL TRIAZOLINONE-BASED HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-31 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 (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-20060009359-A1 Selective heteroaryloxy-acetamide-based herbicides AADAC, HACL2, HDHD5 PPARG 38/4885PPARD 171/4885PPOX 723/4885
US-20120309622-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULPHONYLAMINIO(THIO)CARBONYL-TRIAZOLIN(ETHI)ONES TST, DDT, TARS2 PPARG 103/4885PPARD 303/4885PPOX 669/4885

“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.