SCHEMBL3758518

SCHEMBL3758518

CCc1cc[n+]([O-])c(S(=O)(=O)Cc2c(C(F)(F)F)nn(C)c2OC(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL3759493 0.89 ALDH1A1 (0.34) ALDH1A1LMNACYP3A4CYP2C9CYP2C19
SCHEMBL3748475 0.85 ALDH1A1 (0.33) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3751493 0.80 SMN1; SMN2 (0.37) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4555941 0.80 ALOX5AP (0.31) ALDH1A1LMNA
SCHEMBL3753716 0.78 ALOX5AP (0.31)
SCHEMBL3761450 0.77 ALDH1A1 (0.34) ALDH1A1LMNACYP3A4CYP2C9CYP2C19
SCHEMBL3760732 0.76 ALDH1A1 (0.31) ALDH1A1LMNA
SCHEMBL4570114 0.73 ALDH1A1 (0.33) ALDH1A1LMNAPTGS2CYP3A4CYP2C9
SCHEMBL4554514 0.73 TSHR (0.35) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5378880 0.72 ALOX5AP (0.39) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9

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
EP-2120939-A2 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP claimed
WO-2008100426-A2 SUBSTITUTED PYRIDINE N-OXIDE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-08-21 WO 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 434/4885LMNA 4752/4885MEN1 3920/4885

“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.