SCHEMBL4515643

SCHEMBL4515643

Cc1nc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1-c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 1/20 0.48
HSPD1 P10809 2/20 0.46
PTPN2 P17706 2/20 0.46
PTPN1 P18031 2/20 0.46
PTPN5 P54829 2/20 0.46
HSPE1 P61604 2/20 0.46
HSD11B1 P28845 3/20 0.45
ERAP1 Q9NZ08 3/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
CCR9 P51686 1/20 0.42
CCR2 P41597 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
IDH2 P48735 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
SCHEMBL4502755 0.91 CCR2 (0.47) PGAM1HSPD1PTPN2PTPN1PTPN5
SCHEMBL4500651 0.87 CCR2 (0.46) PGAM1HSPD1PTPN2PTPN1PTPN5
SCHEMBL4496936 0.86 SLC22A12 (0.44) PGAM1HSPD1PTPN2PTPN1PTPN5
SCHEMBL4489745 0.86 IDH2 (0.50) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL4493785 0.83 EDNRB (0.48) HSD17B10KDM4EALDH1A1HPGD
SCHEMBL4493846 0.83 HSD11B1 (0.54) HSD11B1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL9982685 0.78 AGTR1 (0.47) HSD11B1LMNAMAPTKDM4EALDH1A1
SCHEMBL31566757 0.77 ERAP1 (0.55) PGAM1HSPD1PTPN2PTPN1PTPN5
SCHEMBL4515079 0.74 AGTR1 (0.46) HSD11B1LMNAALDH1A1SLC22A12
SCHEMBL4491234 0.74 PFKFB3 (0.41) HSD11B1LMNAMAPTHSD17B10KDM4E

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 PGAM1 1110/4885HSPD1 3404/4885PTPN2 1008/4885
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes GPR119, CYP4B1, SLC5A1 PGAM1 1110/4885HSPD1 3404/4885PTPN2 1008/4885

“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.