SCHEMBL441215

SCHEMBL441215

CN(C)C(=O)OC1=C(c2ccccc2C(F)(F)F)S(=O)(=O)N(CC(F)F)c2ncccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
RBP4 P02753 1/20 0.36
HSD11B1 P28845 1/20 0.35
TRPV1 Q8NER1 3/20 0.35
GAA P10253 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
TRPA1 O75762 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SLC6A7 Q99884 1/20 0.33
ELANE P08246 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
SCHEMBL441216 0.92 ITGB1 (0.38) ITGB1ITGA4RBP4HSD11B1TRPV1
SCHEMBL442116 0.88 MAPT (0.39) RBP4HSD11B1TRPV1GAATRPA1
SCHEMBL442606 0.82 HSD11B1 (0.40) RBP4HSD11B1GAAALDH1A1SLC6A7
SCHEMBL442117 0.79 RBP4 (0.38) RBP4HSD11B1TRPV1GAATRPA1
SCHEMBL444316 0.77 NPC1 (0.33) HRH3ELANE
SCHEMBL442078 0.75 TDP1 (0.34) TRPV1TRPA1ALDH1A1
SCHEMBL443673 0.75 MAPT (0.40) TRPV1TRPA1ALDH1A1ELANE
SCHEMBL442121 0.75 MEN1 (0.30)
SCHEMBL2373539 0.72 RBP4 (0.37) RBP4HSD11B1TRPV1ALDH1A1SLC6A7
SCHEMBL441900 0.69 KDM4E (0.39) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065065-A1 HERBICIDALLY ACTIVE PYRIDYLKETOSULTAMS BAYER CROPSCIENCE AG (DE) 2012-03-15 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-20120065065-A1 HERBICIDALLY ACTIVE PYRIDYLKETOSULTAMS PDXK, CBR3, CBR1 ITGB1 3982/4885ITGA4 3353/4885RBP4 2759/4885

“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.