SCHEMBL3928947

SCHEMBL3928947

CCS(=O)(=O)c1cccc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
GAA P10253 1/20 0.39
PSIP1 O75475 2/20 0.39
ASIC3 Q9UHC3 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
MCHR1 Q99705 3/20 0.33
CNR2 P34972 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 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
SCHEMBL14243533 0.82 CNR2 (0.50) NOS3NOS2XIAPBIRC2MCHR1
SCHEMBL7971731 0.80 CYP3A4 (0.41) GAAPSIP1MAPTJAK1TYK2
SCHEMBL30253319 0.79 NOS3 (0.46) NOS3NOS2ASIC3KDM4EMAPT
SCHEMBL12780478 0.78 CCR1 (0.43) NOS3NOS2PSIP1KDM4EALDH1A1
SCHEMBL17647899 0.77 NOS3 (0.43) NOS3NOS2ASIC3
SCHEMBL16234260 0.76 PSIP1 (0.39) GAAPSIP1JAK1TYK2GABRA1
SCHEMBL1363982 0.75 NOS3 (0.41) NOS3NOS2ASIC3KDM4EXIAP
SCHEMBL31544789 0.75 NOS3 (0.41) NOS3NOS2ASIC3KDM4EXIAP
Ammonia Solution, Strong SCHEMBL28206444 0.75 NOS3 (0.41) NOS3NOS2ASIC3
SCHEMBL3466819 0.74 CNR2 (0.36) GAAPSIP1JAK1TYK2CNR2

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 11 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 claimed
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 NOS3 1084/4885NOS2 1087/4885GAA 520/4885

“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.