SCHEMBL3928338

SCHEMBL3928338

CC(C)(C)OC(=O)Nc1ccc(Br)c(CC(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
SCN9A Q15858 1/20 0.36
RAB9A P51151 3/20 0.36
CYP17A1 P05093 2/20 0.36
SUV39H2 Q9H5I1 1/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
BCL2 P10415 1/20 0.36
MAPKAPK2 P49137 5/20 0.35
ACSS2 Q9NR19 1/20 0.35
HTT P42858 1/20 0.35
AKT1 P31749 1/20 0.34
LCK P06239 1/20 0.34

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
SCHEMBL29604131 0.86 ATR (0.40) GSK3BDYRK1ASCN9ARAB9ACYP17A1
SCHEMBL23107371 0.86 NPC1 (0.39) GSK3BDYRK1ASCN9ARAB9ACYP17A1
SCHEMBL31330250 0.86 NPC1 (0.39) GSK3BDYRK1ASCN9ARAB9ACYP17A1
SCHEMBL23107173 0.86 ATR (0.40) GSK3BDYRK1ASCN9ARAB9ACYP17A1
SCHEMBL3935616 0.85 CYP17A1 (0.38) GSK3BDYRK1ASCN9ARAB9ACYP17A1
SCHEMBL7110717 0.84 PTGDR2 (0.42) PTGDR2GSK3BDYRK1ASCN9ARAB9A
SCHEMBL23107336 0.84 GSK3B (0.38) GSK3BDYRK1ASCN9ARAB9ACYP17A1
SCHEMBL23103813 0.83 GSK3B (0.37) GSK3BDYRK1ASCN9ARAB9ACYP17A1
SCHEMBL29814648 0.83 GSK3B (0.37) GSK3BDYRK1ASCN9ARAB9ACYP17A1
SCHEMBL23666953 0.82 GSK3B (0.36) GSK3BDYRK1ASCN9ARAB9ACYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101035762-B Alkil-pyridines as 11-beta inhibitors for diabetes HOFFMANN LA ROCHE 2010-09-29 CN disclosed
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
CN-101035762-A Alkil-pyridines as 11-beta inhibitors for diabetes HOFFMANN LA ROCHE (CH) 2007-09-12 CN 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 PTGDR2 540/4885GSK3B 825/4885DYRK1A 2610/4885

“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.