SCHEMBL3935299

SCHEMBL3935299

COC(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)nc1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
SLC40A1 Q9NP59 1/20 0.43
MAPT P10636 2/20 0.42
CLK1 P49759 1/20 0.42
SCN9A Q15858 3/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
AR P10275 1/20 0.42
ESR2 Q92731 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
KDM1A O60341 1/20 0.42
PIK3CB P42338 1/20 0.42
HSD17B2 P37059 1/20 0.41

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
SCHEMBL3935561 0.86 PGR (0.47) TSHRMAPTPGRKDM1AALDH1A1
SCHEMBL3924008 0.84 HTT (0.47) TSHRSCN9AKDM4EALDH1A1SPR
SCHEMBL3935305 0.82 HSD11B1 (0.45) TSHRL3MBTL1SLC40A1CLK1NR3C1
SCHEMBL3927417 0.79 SLC22A12 (0.44) TSHRMAPTSCN9AKDM4EALDH1A1
SCHEMBL3926007 0.76 TSHR (0.45) TSHRSCN9AALDH1A1
SCHEMBL3923004 0.75 TSHR (0.42) TSHRMAPTSCN9AKDM4ELMNA
SCHEMBL3925063 0.75 CCR4 (0.49) TSHRSLC40A1ALDH1A1LMNA
SCHEMBL3935294 0.73 TSHR (0.44) TSHRL3MBTL1SLC40A1MAPTCLK1
SCHEMBL3938378 0.72 SLC22A12 (0.45) TSHRSCN9A
SCHEMBL3926436 0.72 MEN1 (0.47) TSHRNR3C1KDM4EALDH1A1LMNA

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 12 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 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 claimed
JP-2008515826-A 2008-05-15 JP claimed
CN-101035762-A Alkil-pyridines as 11-beta inhibitors for diabetes HOFFMANN LA ROCHE (CH) 2007-09-12 CN 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
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
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 TSHR 1406/4885L3MBTL1 3258/4885SLC40A1 2991/4885

“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.