SCHEMBL4493643

SCHEMBL4493643

COc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3Cl)cn2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HTT P42858 1/20 0.56
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
PGAM1 P18669 1/20 0.51
ALDH1A1 P00352 6/20 0.50
PKM P14618 2/20 0.50
TSHR P16473 2/20 0.50
SCN9A Q15858 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
SLC22A12 Q96S37 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TP53 P04637 1/20 0.49
LMNA P02545 2/20 0.48

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
SCHEMBL4504556 0.93 HTT (0.53) MAPK1MEN1KMT2AHTTALDH1A1
SCHEMBL4513515 0.88 HTT (0.60) MAPK1MEN1KMT2AHTTALDH1A1
SCHEMBL4498570 0.85 KMO (0.49) MEN1KMT2AHTTALDH1A1PKM
SCHEMBL633106 0.85 MEN1 (0.67) MAPK1MEN1KMT2AHTTCA12
SCHEMBL4501221 0.84 SLC22A12 (0.46) MEN1KMT2AHTTALDH1A1PKM
SCHEMBL4504785 0.81 ALDH1A1 (0.56) HTTALDH1A1PKMKDM4EACLY
SCHEMBL4507992 0.81 HTT (0.57) MEN1KMT2AHTTALDH1A1TSHR
SCHEMBL4504678 0.80 MEN1 (0.53) MEN1KMT2APGAM1TSHRSCN9A
SCHEMBL4499458 0.80 POLB (0.49) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL4497259 0.77 MEN1 (0.51) MEN1KMT2AALDH1A1PKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211913-B2 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-07-03 US claimed
CN-100589803-C Aryl-pyridine derivatives HOFFMANN LA ROCHE 2010-02-17 CN claimed
US-20090149503-A1 NEW 5-ARYL PYRIDINES AS 11-BETA INHIBITORS FOR THE TREATMENT OF DIABETES AMREIN KURT 2009-06-11 US claimed
US-7528159-B2 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US claimed
EP-1789041-B1 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-09 EP claimed
CN-1988905-A Aryl-pyridine derivatives HOFFMANN LA ROCHE (CH) 2007-06-27 CN claimed
EP-1789041-A2 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS F. Hoffmann-Roche AG (CH) 2007-05-30 EP claimed
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. 2006-02-02 US claimed
WO-2006010546-A2 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2006-02-02 WO claimed
US-8211913-B2 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-07-03 US disclosed
CN-100589803-C Aryl-pyridine derivatives HOFFMANN LA ROCHE 2010-02-17 CN disclosed
US-20090149503-A1 NEW 5-ARYL PYRIDINES AS 11-BETA INHIBITORS FOR THE TREATMENT OF DIABETES AMREIN KURT 2009-06-11 US disclosed
US-7528159-B2 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US disclosed
EP-1789041-B1 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
CN-1988905-A Aryl-pyridine derivatives HOFFMANN LA ROCHE (CH) 2007-06-27 CN disclosed
EP-1789041-A2 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS F. Hoffmann-Roche AG (CH) 2007-05-30 EP disclosed
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. 2006-02-02 US disclosed
WO-2006010546-A2 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2006-02-02 WO 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 (2 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-20090149503-A1 NEW 5-ARYL PYRIDINES AS 11-BETA INHIBITORS FOR THE TREATMENT OF DIABETES GPR119, CYP4B1, SLC5A1 MAPK1 234/4885MEN1 2634/4885KMT2A 4369/4885
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes GPR119, CYP4B1, SLC5A1 MAPK1 234/4885MEN1 2634/4885KMT2A 4369/4885

“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.