SCHEMBL4500512

SCHEMBL4500512

Cc1ccc(Cl)c(-c2ccc(NS(=O)(=O)c3ccc(F)cc3)nc2)c1F

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 11/20 0.49
BRD4 O60885 1/20 0.47
HSD11B1 P28845 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SCN9A Q15858 1/20 0.45
PIK3CA P42336 1/20 0.44

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
SCHEMBL4510410 0.81 HSD17B2 (0.47) SLC22A12KDM4EALDH1A1SCN9A
SCHEMBL4500045 0.81 HSD11B1 (0.50) SLC22A12HSD11B1ALDH1A1PIK3CA
SCHEMBL4493233 0.80 BRD4 (0.58) SLC22A12BRD4HSD11B1KDM4EALDH1A1
SCHEMBL4496594 0.80 SLC22A12 (0.56) SLC22A12BRD4SCN9A
SCHEMBL4492510 0.80 HSD11B1 (0.46) SLC22A12HSD11B1KDM4E
SCHEMBL4504299 0.76 SLC22A12 (0.54) SLC22A12BRD4
SCHEMBL4504678 0.76 MEN1 (0.53) SLC22A12HSD11B1KDM4ESCN9APIK3CA
SCHEMBL4501015 0.76 BRD4 (0.54) SLC22A12BRD4HSD11B1SCN9A
SCHEMBL4500040 0.74 SLC22A12 (0.53) SLC22A12SCN9A
SCHEMBL4509297 0.74 SLC22A12 (0.52) SLC22A12BRD4HSD11B1SCN9APIK3CA

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 SLC22A12 1730/4885BRD4 746/4885HSD11B1 25/4885
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes GPR119, CYP4B1, SLC5A1 SLC22A12 1730/4885BRD4 746/4885HSD11B1 25/4885

“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.