SCHEMBL3598103

SCHEMBL3598103

COc1cccc(C(F)(F)F)c1S(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.42
CA2 P00918 5/20 0.42
CA1 P00915 3/20 0.41
ACHE P22303 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.40
MAOB P27338 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
PTGS2 P35354 1/20 0.39
AR P10275 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL31172692 1.00 NFE2L2 (0.42) NFE2L2CA2CA1ACHEPTGES2
SCHEMBL8740250 0.85 NFE2L2 (0.43) NFE2L2MAOBSLC22A12PTGS2AR
SCHEMBL6630905 0.83 NFE2L2 (0.42) NFE2L2MAOBSLC22A12ARGAA
SCHEMBL8854736 0.83 NFE2L2 (0.42) NFE2L2MAOBSLC22A12ARGAA
SCHEMBL29469930 0.83 SLC22A12 (0.37) CA2PTGES2SLC22A12
SCHEMBL6807395 0.82 CA2 (0.51) CA2CA1ACHEPTGES2CA12
SCHEMBL16572564 0.82 CA1 (0.47) CA2CA1PTGES2CA12CA9
SCHEMBL8854731 0.81 NFE2L2 (0.40) NFE2L2MAOBSLC22A12ARGAA
SCHEMBL31172602 0.80 ADRA1D (0.48) CA2CA1ACHEPTGES2CA12
SCHEMBL5399765 0.77 PTGES2 (0.54) NFE2L2CA2CA1ACHEPTGES2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723266-B2 Substituted aryl sulphony(thio)ureas used as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
EP-1683789-A1 Substituted arylsulfonyl(thio)ureas as herbicides Bayer CropScience AG (DE) 2006-07-26 EP disclosed
US-20050004123-A1 Substituted aryl sulphonyl(thio)ureas used as herbicides BAYER AG (DE) 2005-01-06 US disclosed
US-6838414-B2 Substituted aryl sulphonyl(thio)ureas used as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2005-01-04 US disclosed
US-20030153463-A1 Substituted aryl sulphonyl(thio)ureas GESING ERNST RUDOLF F (DE) 2003-08-14 US disclosed
US-6451737-B1 N-(4,6-DIMETHYL-PYRIMIDIN-2-YL)-N'-(2-METHOXY-6-TRIFLUOROMETHY L-PHENYLSULPHONYL)-UREA BAYER AKTIENGESELLSCHAFT (DE) 2002-09-17 US 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-20030153463-A1 Substituted aryl sulphonyl(thio)ureas TST, DDT, CBR3 NFE2L2 920/4885CA2 1503/4885CA1 3162/4885
US-20050004123-A1 Substituted aryl sulphonyl(thio)ureas used as herbicides DDT, CBR3, TST NFE2L2 886/4885CA2 1414/4885CA1 2880/4885

“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.