SCHEMBL4501022

SCHEMBL4501022

Cc1cc(F)ccc1-c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.50
SCN9A Q15858 3/20 0.49
SPR P35270 1/20 0.48
CKS1B P61024 2/20 0.48
SKP2 Q13309 2/20 0.48
PIK3CB P42338 1/20 0.48
TSHR P16473 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
NR3C1 P04150 1/20 0.46
AR P10275 1/20 0.46
SLC22A12 Q96S37 2/20 0.45
BRD4 O60885 1/20 0.44
ACLY P53396 1/20 0.44
SLC40A1 Q9NP59 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
SCHEMBL4504852 0.92 HSD17B2 (0.53) HSD17B2SCN9ASPRCKS1BSKP2
SCHEMBL4500780 0.88 HSD17B2 (0.51) HSD17B2SCN9ASPRCKS1BSKP2
SCHEMBL4503315 0.88 BRD4 (0.52) SCN9ASPRSLC22A12BRD4SLC40A1
SCHEMBL4489474 0.85 HSD17B2 (0.49) HSD17B2SCN9ASPRCKS1BSKP2
SCHEMBL4500689 0.85 PKM (0.48) SCN9ASLC22A12BRD4
SCHEMBL5918340 0.84 SCN9A (0.43) HSD17B2SCN9ASPRNR3C1AR
SCHEMBL4506739 0.84 HSD17B2 (0.53) HSD17B2CKS1BSKP2PIK3CBTSHR
SCHEMBL4493655 0.81 KDM1A (0.53) SCN9ACKS1BSKP2PIK3CBTSHR
SCHEMBL4497259 0.81 MEN1 (0.51) SCN9ACKS1BSKP2PIK3CBTSHR
SCHEMBL4506414 0.80 SCN9A (0.45) HSD17B2SCN9ASPRCKS1BSKP2

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 HSD17B2 175/4885SCN9A 925/4885SPR 905/4885
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes GPR119, CYP4B1, SLC5A1 HSD17B2 175/4885SCN9A 925/4885SPR 905/4885

“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.