SCHEMBL1035285

SCHEMBL1035285

COc1[c]ncc(OC(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
PIK3CA P42336 1/20 0.32
RXRA P19793 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
POLB P06746 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
SCHEMBL2180070 0.87 MEN1 (0.31)
SCHEMBL2180024 0.86 RXRA (0.34) KDM4EMAPTRXRAGRIN1GRIN2B
SCHEMBL1035966 0.81 RXRA (0.30) RXRAGRIN1GRIN2B
SCHEMBL2177830 0.81 ALDH1A1 (0.38)
SCHEMBL1032886 0.78 F2RL3 (0.31) KDM4EMAPTPIK3CA
SCHEMBL1031414 0.76 GRIN1 (0.30) GRIN1GRIN2B
SCHEMBL2175980 0.75
SCHEMBL2179010 0.75 MEN1 (0.34) RXRAGRIN1GRIN2B
SCHEMBL1034447 0.74 HRH4 (0.30) MAPTRXRAGRIN1GRIN2B
SCHEMBL2178393 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299262-B2 Pyridylmethyl-sulfonamide compounds BASF SE (DE) 2012-10-30 US claimed
JP-2011506281-A 2011-03-03 JP claimed
EP-2262794-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2010-12-22 EP claimed
US-20100317516-A1 Sulfonamide Compounds And Their Use As Fungicide BASF SE (DE) 2010-12-16 US claimed
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-09-30 US claimed
EP-2231605-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2010-09-29 EP claimed
WO-2009103650-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2009-08-27 WO claimed
WO-2009071448-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 WO claimed
WO-2009071449-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 WO claimed
US-8299262-B2 Pyridylmethyl-sulfonamide compounds BASF SE (DE) 2012-10-30 US disclosed
US-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests BASF SE (DE) 2011-07-07 US disclosed
EP-2297134-A1 SUBSTITUTED PYRIDIN-4 -YL-METHYL SULFONAMIDES AS FUNGICIDES BASF SE (DE) 2011-03-23 EP disclosed
US-20110065577-A1 Substituted pyridin-4-yl-methyl sulfonamides as fungicides BASF SE (DE) 2011-03-17 US disclosed
US-20110045974-A1 Substituted Triazinylmethyl Sulfonamides BASF SE (DE) 2011-02-24 US disclosed
WO-2009141292-A1 SUBSTITUTED HETEROARYLMETHYL SULFONAMIDES BASF SE (DE) 2009-11-26 WO disclosed
WO-2009124903-A1 SUBSTITUTED PYRIDAZINYLMETHYL SULFONAMIDES BASF SE (DE) 2009-10-15 WO disclosed
WO-2009112533-A1 SUBSTITUTED TRIAZINYLMETHYL SULFONAMIDES BASF SE (DE) 2009-09-17 WO disclosed
WO-2009103650-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2009-08-27 WO disclosed
WO-2009071448-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 WO disclosed
WO-2009071449-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 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 (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-20100317516-A1 Sulfonamide Compounds And Their Use As Fungicide STS, ARSA, CYP4X1 KDM4E 705/4885MAPT 4057/4885PIK3CA 914/4885
US-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests GLRX3, CBR3, PRDX1 KDM4E 4261/4885MAPT 4632/4885PIK3CA 4435/4885
US-20110045974-A1 Substituted Triazinylmethyl Sulfonamides STS, TST, TPST2 KDM4E 1795/4885MAPT 2320/4885PIK3CA 1858/4885
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds CBR3, CBR1, CBS KDM4E 2704/4885MAPT 4200/4885PIK3CA 1277/4885
US-20110065577-A1 Substituted pyridin-4-yl-methyl sulfonamides as fungicides CYP4X1, PNPO, PADI1 KDM4E 302/4885MAPT 3891/4885PIK3CA 986/4885

“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.