SCHEMBL12345802

SCHEMBL12345802

CN(C)C(=O)COc1c(S(C)(=O)=O)ccc(C(=O)C2=C(O)CCCC2=O)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL12345812 0.92 ALDH1A1 (0.31)
SCHEMBL12345805 0.92 MEN1 (0.30) SMN1; SMN2
SCHEMBL12345798 0.91 THRB (0.34) SMN1; SMN2
SCHEMBL12345810 0.87 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL12345799 0.85 HPD (0.35) SMN1; SMN2KEAP1NFE2L2
SCHEMBL12345809 0.84
SCHEMBL12345814 0.84
SCHEMBL12345806 0.83 KDM4E (0.32) SMN1; SMN2
SCHEMBL12345818 0.79 MEN1 (0.32)
SCHEMBL12345813 0.79 ALDH1A1 (0.33) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536277-B1 3-AMINOCARBONYL SUBSTITUTED BENZOYLCYCLOHEXANDIONS AND THEIR APPLICATION AS HERBICIDES BAYER IP GMBH (DE) 2016-01-20 EP disclosed
US-8557741-B2 3-aminocarbonyl-substituted benzoylcyclohexanediones and their use as herbicides BAYER CROPSCIENCE AG (DE) 2013-10-15 US disclosed
US-8557741-B2 3-aminocarbonyl-substituted benzoylcyclohexanediones and their use as herbicides BAYER CROPSCIENCE AG (DE) 2013-10-15 US disclosed
US-20110207605-A1 3-Aminocarbonyl-substituted benzoylcyclohexanediones and their use as herbicides BAYER CROPSCIENCE AG (DE) 2011-08-25 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 (1 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-20110207605-A1 3-Aminocarbonyl-substituted benzoylcyclohexanediones and their use as herbicides DDT, CBR3, CBR1 SMN1; SMN2 4359/4885KEAP1 296/4885NFE2L2 596/4885

“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.