SCHEMBL3926007

SCHEMBL3926007

COC(c1ccc(NS(=O)(=O)c2cc(F)ccc2F)nc1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
SCN9A Q15858 6/20 0.43
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
HTT P42858 2/20 0.40
ALPL P05186 4/20 0.40
BRAF P15056 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AXL P30530 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN5A Q14524 1/20 0.38
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL3923004 0.91 TSHR (0.42) TSHRSCN9AHTTALPLSMN1; SMN2
SCHEMBL3938378 0.89 SLC22A12 (0.45) TSHRSCN9AHTTSLC22A12
SCHEMBL3931051 0.80 SMN1; SMN2 (0.37) SCN9APIK3CAMTORHTTSMN1; SMN2
SCHEMBL3924008 0.80 HTT (0.47) TSHRSCN9AHTTALDH1A1SCN5A
SCHEMBL3937855 0.79 FFAR4 (0.39) SCN9ASMN1; SMN2SCN5A
SCHEMBL3935561 0.77 PGR (0.47) TSHRHTTALDH1A1SLC22A12
SCHEMBL3925063 0.76 CCR4 (0.49) TSHRHTTALDH1A1SMN1; SMN2
SCHEMBL3926436 0.76 MEN1 (0.47) TSHRHTTALDH1A1SMN1; SMN2SLC22A12
SCHEMBL3935299 0.76 TSHR (0.45) TSHRSCN9AALDH1A1
SCHEMBL3927417 0.74 SLC22A12 (0.44) TSHRSCN9AHTTALDH1A1SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008515826-A 2008-05-15 JP claimed
WO-2006037501-A9 ALKIL-PYRIDINES AS 11-BETA INHIBITORS FOR DIABETES HOFFMANN LA ROCHE (CH) 2007-08-02 WO claimed
EP-1799647-A1 ALKIL-PYRIDINES AS 11-BETA INHIBITORS FOR DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2007-06-27 EP claimed
WO-2006037501-A1 ALKIL-PYRIDINES AS 11-BETA INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO claimed
US-20060074237-A1 N-(pyridin-2-yl)-benzenesulfonamides; hypotensive agents; antidiabetic agents for Type II Diabetes; obesity, eating disorders, dyslipidemia; 11beta-hydroxysteroid dehydrogenase inhibitors HOFFMANN-LA ROCHE INC. 2006-04-06 US claimed
US-7482341-B2 N-(pyridin-2-yl)-benzenesulfonamides; antidiabetic agents for Type II Diabetes; obesity; 11beta-hydroxysteroid dehydrogenase inhibitors HOFFMANN-LA ROCHE INC. (US) 2009-01-27 US disclosed
WO-2006037501-A9 ALKIL-PYRIDINES AS 11-BETA INHIBITORS FOR DIABETES HOFFMANN LA ROCHE (CH) 2007-08-02 WO disclosed
EP-1799647-A1 ALKIL-PYRIDINES AS 11-BETA INHIBITORS FOR DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2007-06-27 EP disclosed
WO-2006037501-A1 ALKIL-PYRIDINES AS 11-BETA INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO disclosed
US-20060074237-A1 N-(pyridin-2-yl)-benzenesulfonamides; hypotensive agents; antidiabetic agents for Type II Diabetes; obesity, eating disorders, dyslipidemia; 11beta-hydroxysteroid dehydrogenase inhibitors HOFFMANN-LA ROCHE INC. 2006-04-06 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-20060074237-A1 N-(pyridin-2-yl)-benzenesulfonamides; hypotensive agents; antidiabetic agents for Type II Diabetes; obesity, eating disorders, dyslipidemia; 11beta-hydroxysteroid dehydrogenase inhibitors HSD3B1, HSD3B2, HSD11B2 TSHR 1406/4885SCN9A 1320/4885PIK3CA 1541/4885

“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.