SCHEMBL3936895

SCHEMBL3936895

CC(C)(C)C(=O)Nc1cccc(COCC(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
KCNH2 Q12809 1/20 0.39
NR3C2 P08235 1/20 0.39
ADORA1 P30542 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE5A O76074 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3925987 0.88 PDE5A (0.37) JAK2JAK3KCNH2NR3C2ADORA1
SCHEMBL124547 0.82 CYP1A2 (0.44) NR3C2ADORA1CYP1A2CYP2C9CYP3A4
SCHEMBL3926995 0.81 GRM5 (0.44) JAK2JAK3KCNH2NR3C2
SCHEMBL3929270 0.81 PDE5A (0.47) PDE5AALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL3928435 0.80 ADORA2A (0.43) NR3C2ADORA1CYP1A2CYP2C9CYP3A4
SCHEMBL3923043 0.80 RAB9A (0.46)
SCHEMBL3926058 0.79 HPGD (0.38) NR3C2ADORA1CYP1A2CYP2C9CYP3A4
SCHEMBL3926330 0.79 ITGB1 (0.47) PDE5ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4171284 0.78 CHRNB2 (0.51) ADORA1CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL3925148 0.78 ADORA1 (0.44) NR3C2ADORA1CYP1A2CYP2C9CYP3A4

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 JAK2 2743/4885JAK3 4497/4885KCNH2 1750/4885

“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.