SCHEMBL3935616

SCHEMBL3935616

CCN(CC)C(=O)Cc1nc(NC(=O)OC(C)(C)C)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.38
ALDH1A1 P00352 1/20 0.38
AKT1 P31749 2/20 0.37
MAPT P10636 2/20 0.36
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
HSD17B10 Q99714 1/20 0.34
SCN9A Q15858 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
LCK P06239 1/20 0.34
MAPKAPK2 P49137 4/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL3926548 0.87 ALDH1A1 (0.38) CYP17A1ALDH1A1AKT1MAPTGSK3B
SCHEMBL3928338 0.85 PTGDR2 (0.40) CYP17A1AKT1GSK3BDYRK1ASCN9A
SCHEMBL23107173 0.82 ATR (0.40) CYP17A1MAPTGSK3BDYRK1ASCN9A
SCHEMBL23107371 0.82 NPC1 (0.39) CYP17A1ALDH1A1AKT1GSK3BDYRK1A
SCHEMBL31330250 0.82 NPC1 (0.39) CYP17A1ALDH1A1AKT1GSK3BDYRK1A
SCHEMBL29604131 0.82 ATR (0.40) CYP17A1MAPTGSK3BDYRK1ASCN9A
SCHEMBL29814648 0.81 GSK3B (0.37) CYP17A1AKT1GSK3BDYRK1ASCN9A
SCHEMBL23103813 0.81 GSK3B (0.37) CYP17A1AKT1GSK3BDYRK1ASCN9A
SCHEMBL23107336 0.80 GSK3B (0.38) CYP17A1GSK3BDYRK1ASCN9ALCK
SCHEMBL3929008 0.80 HSD11B1 (0.52) CYP17A1ALDH1A1AKT1MAPTSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP17A1 36/4885ALDH1A1 210/4885AKT1 2265/4885

“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.