SCHEMBL3926548

SCHEMBL3926548

CCN(CC)C(=O)Cc1nc(NC(=O)OC(C)(C)C)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP17A1 P05093 1/20 0.38
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
LCK P06239 5/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
HSD11B1 P28845 1/20 0.35
AKT1 P31749 2/20 0.35
HSD17B10 Q99714 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL3935616 0.87 CYP17A1 (0.38) ALDH1A1CYP17A1KDM4EGAATDP1
SCHEMBL29112758 0.82 CNR2 (0.41) CYP17A1CNR2LCKGSK3BDYRK1A
SCHEMBL29112878 0.81 GSK3B (0.41) CYP17A1CNR2LCKGSK3BDYRK1A
SCHEMBL3929008 0.81 HSD11B1 (0.52) ALDH1A1CYP17A1KDM4EMAPTLCK
SCHEMBL6469040 0.76 LCK (0.46) CYP17A1LCKGSK3BDYRK1ACA12
SCHEMBL31052566 0.73 LCK (0.43) LCKGSK3BDYRK1ACA12CA1
SCHEMBL4953526 0.73 LCK (0.43) LCKGSK3BDYRK1ACA12CA1
SCHEMBL7110934 0.73 NLRP3 (0.40) MAPTLCKMAPKAPK2
SCHEMBL3936690 0.72 GABRP (0.44) KDM4EGAATDP1CA12CA1
SCHEMBL18172320 0.71 ATR (0.44) LCKGSK3BDYRK1A

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 ALDH1A1 210/4885CYP17A1 36/4885CNR2 828/4885

“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.