SCHEMBL4500600

SCHEMBL4500600

O=S(=O)(Nc1ccc(-c2cccc(Cl)c2Cl)cn1)c1ccc(OCCO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.47
HDAC4 P56524 8/20 0.47
HDAC1 Q13547 8/20 0.47
HDAC7 Q8WUI4 8/20 0.47
HDAC2 Q92769 8/20 0.47
HDAC10 Q969S8 8/20 0.47
HDAC11 Q96DB2 8/20 0.47
HDAC8 Q9BY41 8/20 0.47
HDAC6 Q9UBN7 8/20 0.47
HDAC9 Q9UKV0 8/20 0.47
HDAC5 Q9UQL6 8/20 0.47
CNR2 P34972 1/20 0.47
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
POLB P06746 1/20 0.43
BCL2L1 Q07817 2/20 0.42
MCL1 Q07820 2/20 0.42
SLC22A12 Q96S37 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMB5 P28074 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
SCHEMBL4501658 0.86 TSHR (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4509297 0.83 SLC22A12 (0.52) CNR2POLBSLC22A12PSMB1PSMB5
SCHEMBL4499386 0.81 HSD11B1 (0.48) CNR2EDNRBEDNRAPOLBSLC22A12
SCHEMBL4506780 0.78 CNR2 (0.48) CNR2POLBSLC22A12PIK3CG
SCHEMBL4502279 0.78 HTT (0.47) CNR2SLC22A12
SCHEMBL4496263 0.78 CNR2 (0.50) CNR2POLBSLC22A12PIK3CG
SCHEMBL4501467 0.74 KDM1A (0.48) CNR2SLC22A12
SCHEMBL4493882 0.74 HSD11B1 (0.55) CNR2EDNRBEDNRA
SCHEMBL4504678 0.74 MEN1 (0.53) POLBSLC22A12PSMB1PSMB5PSMB2
SCHEMBL4499458 0.73 POLB (0.49) POLBPSMB1PSMB5PSMB2PIK3CG

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 14 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
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
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
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
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 HDAC3 789/4885HDAC4 707/4885HDAC1 387/4885
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes GPR119, CYP4B1, SLC5A1 HDAC3 789/4885HDAC4 707/4885HDAC1 387/4885

“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.