SCHEMBL1380433

SCHEMBL1380433

CC(C)c1nccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 4/20 0.49
CCR4 P51679 1/20 0.46
EDNRA P25101 2/20 0.45
EDNRB P24530 1/20 0.44
PIK3C3 Q8NEB9 1/20 0.43
ITGA1 P56199 1/20 0.43
HSD11B1 P28845 1/20 0.42
PPARG P37231 3/20 0.42
TSHR P16473 1/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
NLRP1 Q9C000 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
SCHEMBL1378352 0.90 MAPT (0.50) CCR4EDNRAEDNRBTSHRMEN1
SCHEMBL1378831 0.85 PKM (0.54) SLC40A1CCR4EDNRAEDNRBPIK3C3
SCHEMBL1382796 0.84 L3MBTL1 (0.46) HSD11B1MEN1LMNAKMT2A
SCHEMBL1380781 0.82 L3MBTL1 (0.55) SLC40A1HSD11B1TSHRMEN1LMNA
SCHEMBL1381156 0.81 SCN1A (0.52)
SCHEMBL1381278 0.81 MEN1 (0.43) SLC40A1MEN1KMT2A
SCHEMBL1379057 0.80 SLC40A1 (0.51) SLC40A1CCR4HSD11B1MAPT
SCHEMBL1378178 0.80 PGR (0.55) SLC40A1CCR4EDNRAEDNRBLMNA
SCHEMBL1381424 0.79 HSD11B1 (0.63) SLC40A1CCR4EDNRAEDNRBHSD11B1
SCHEMBL1380832 0.79 SCN9A (0.45) CCR4EDNRAEDNRBHSD11B1CYP3A4

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 11 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
US-7507733-B2 11b-HSD1 inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US 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 SLC40A1 2849/4885CCR4 3452/4885EDNRA 885/4885

“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.