SCHEMBL3748475

SCHEMBL3748475

Cn1nc(C(F)(F)F)c(CS(=O)(=O)c2cccc[n+]2[O-])c1OC(F)F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP3A4 P08684 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3759394 0.87 ALDH1A1 (0.34) ALDH1A1CYP2C9CYP2C19CYP3A4NPSR1
SCHEMBL3759493 0.86 ALDH1A1 (0.34) ALDH1A1CYP2C9CYP2C19CYP3A4NPSR1
SCHEMBL3758518 0.85 ALDH1A1 (0.32) ALDH1A1CYP2C9CYP2C19CYP3A4NPSR1
SCHEMBL3751493 0.85 SMN1; SMN2 (0.37) ALDH1A1CYP2C9CYP2C19CYP3A4NPSR1
SCHEMBL3759516 0.80
SCHEMBL4554514 0.79 TSHR (0.35) ALDH1A1CYP2C9CYP2C19CYP3A4NPSR1
SCHEMBL3757052 0.77 LMNA (0.39) ALDH1A1CYP2C9CYP2C19CYP3A4NPSR1
SCHEMBL3746513 0.77 MEN1 (0.32) CYP2C9CYP2C19CYP1A2MEN1KMT2A
SCHEMBL4570114 0.73 ALDH1A1 (0.33) ALDH1A1CYP2C9CYP2C19CYP3A4NPSR1
SCHEMBL1222406 0.73 MAPT (0.31) ALDH1A1GAAMEN1KMT2ALMNA

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
US-20100298141-A1 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-25 US claimed
US-20100298141-A1 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-25 US disclosed
EP-2120939-A2 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008100426-A2 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-08-21 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 (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-20100298141-A1 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES CYP3A7, CYP2W1, CBR3 ALDH1A1 434/4885CYP2C9 98/4885CYP2C19 523/4885

“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.