SCHEMBL3759394

SCHEMBL3759394

Cn1nc(C(F)(F)F)c(CS(=O)(=O)c2cccc[n+]2[O-])c1OCC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
CYP2C9 P11712 4/20 0.34
CYP2C19 P33261 4/20 0.34
CYP3A4 P08684 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 2/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
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
SCHEMBL3748475 0.87 ALDH1A1 (0.33) ALDH1A1CYP2C9CYP2C19CYP3A4NPSR1
SCHEMBL3761450 0.86 ALDH1A1 (0.34) ALDH1A1CYP2C9CYP2C19CYP3A4NPSR1
SCHEMBL3760732 0.83 ALDH1A1 (0.31) ALDH1A1LMNA
SCHEMBL4439919 0.80 KDM4E (0.36) ALDH1A1CYP2C9CYP2C19CYP3A4NPSR1
SCHEMBL3754415 0.77 MEN1 (0.33) ALDH1A1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL4555717 0.74 NPSR1 (0.34) ALDH1A1CYP2C9CYP2C19CYP3A4NPSR1
SCHEMBL1223797 0.73 MAPT (0.32) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL3759493 0.73 ALDH1A1 (0.34) ALDH1A1CYP2C9CYP2C19CYP3A4NPSR1
SCHEMBL3758518 0.72 ALDH1A1 (0.32) ALDH1A1CYP2C9CYP2C19CYP3A4NPSR1
SCHEMBL4171943 0.72 MAPT (0.31) ALDH1A1MEN1KMT2AGAALMNA

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 2 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

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.