SCHEMBL4489474

SCHEMBL4489474

Cc1cc(F)ccc1-c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)nc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.49
HSD11B1 P28845 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SLC40A1 Q9NP59 1/20 0.46
SCN9A Q15858 2/20 0.46
TSHR P16473 1/20 0.46
SCN5A Q14524 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
KDM1A O60341 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NR3C1 P04150 2/20 0.43
AR P10275 2/20 0.43

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
SCHEMBL4502416 0.93 HSD17B2 (0.51) HSD17B2HSD11B1MEN1KMT2ASLC40A1
SCHEMBL4488545 0.89 MEN1 (0.49) HSD17B2HSD11B1MEN1KMT2ASLC40A1
SCHEMBL4504857 0.86 KMT2A (0.46) HSD11B1MEN1KMT2ASLC40A1SCN9A
SCHEMBL4500780 0.86 HSD17B2 (0.51) HSD17B2MEN1KMT2ASLC40A1SCN9A
SCHEMBL4489745 0.86 IDH2 (0.50) HSD17B2HSD11B1MEN1KMT2ASLC40A1
SCHEMBL4501022 0.85 HSD17B2 (0.50) HSD17B2MEN1KMT2ASLC40A1SCN9A
SCHEMBL5176028 0.85 KDM4E (0.51) HSD11B1TSHRFFAR4GAA
SCHEMBL4501662 0.84 PKM (0.48) HSD11B1MEN1KMT2ASLC40A1KDM1A
SCHEMBL5918340 0.84 SCN9A (0.43) HSD17B2HSD11B1SCN9ASCN5AKDM1A
SCHEMBL4496936 0.84 SLC22A12 (0.44) HSD11B1SCN9ASCN5ALMNASPR

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 175/4885HSD11B1 25/4885MEN1 2634/4885
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes GPR119, CYP4B1, SLC5A1 HSD17B2 175/4885HSD11B1 25/4885MEN1 2634/4885

“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.