SCHEMBL1378719

SCHEMBL1378719

Cc1c(Cl)cccc1S(=O)(=O)Nc1ccnc(OCC2CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.55
SLC40A1 Q9NP59 1/20 0.47
CCR4 P51679 3/20 0.45
EDNRB P24530 2/20 0.42
EDNRA P25101 2/20 0.42
MAPK8 P45983 1/20 0.40
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL1830382 0.87 HSD11B1 (0.52) HSD11B1SLC40A1CCR4EDNRBEDNRA
SCHEMBL1382252 0.80 HSD11B1 (0.62) HSD11B1SLC40A1CCR4EDNRBEDNRA
SCHEMBL3929016 0.79 HSD11B1 (0.58) HSD11B1SLC40A1CCR4EDNRBEDNRA
SCHEMBL1380007 0.79 HSD11B1 (0.63) HSD11B1SLC40A1CCR4EDNRBEDNRA
SCHEMBL1379502 0.78 HSD11B1 (0.59) HSD11B1SLC40A1CCR4EDNRBEDNRA
SCHEMBL1381363 0.78 HSD11B1 (0.59) HSD11B1SLC40A1CCR4EDNRBEDNRA
SCHEMBL1378890 0.78 HSD11B1 (0.59) HSD11B1SLC40A1CCR4EDNRBEDNRA
SCHEMBL1379109 0.78 HSD11B1 (0.69) HSD11B1SLC40A1CCR4EDNRBEDNRA
SCHEMBL3923837 0.78 HSD11B1 (0.53) HSD11B1SLC40A1CCR4EDNRBEDNRA
SCHEMBL1830383 0.76 HSD11B1 (0.53) HSD11B1SLC40A1CCR4EDNRBEDNRA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4809339-B2 2011-11-09 JP claimed
EP-1763517-B1 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-05-11 EP claimed
CN-1972918-B Pyrimidine derivatives HOFFMANN LA ROCHE 2010-10-13 CN claimed
US-7507733-B2 11b-HSD1 inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US claimed
CN-1972918-A Pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-05-30 CN claimed
EP-1763517-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-21 EP claimed
WO-2006000371-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO claimed
US-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 US claimed
EP-1763517-B1 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-05-11 EP disclosed
US-7507733-B2 11b-HSD1 inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
EP-1763517-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-21 EP disclosed
WO-2006000371-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO disclosed
US-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 US 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 (1 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-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes HSD11B1, HSD17B1, HSD3B1 HSD11B1 1/4885SLC40A1 2849/4885CCR4 3452/4885

“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.