SCHEMBL1378352

SCHEMBL1378352

CC(C)c1nccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
USP2 O75604 1/20 0.50
ESR2 Q92731 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MCL1 Q07820 3/20 0.49
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALPL P05186 1/20 0.46
CCR4 P51679 1/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
FBP1 P09467 4/20 0.45
EDNRB P24530 1/20 0.45
EDNRA P25101 1/20 0.45
GLA P06280 1/20 0.45
MEN1 O00255 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
SCHEMBL1380433 0.90 SLC40A1 (0.49) MAPTTSHRCCR4LMNAEDNRB
SCHEMBL1378831 0.85 PKM (0.54) ALDH1A1CCR4LMNAEDNRBEDNRA
SCHEMBL1382796 0.84 L3MBTL1 (0.46) ALDH1A1ALPLHTTLMNAL3MBTL1
SCHEMBL1380781 0.82 L3MBTL1 (0.55) MAPTTSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL1381156 0.81 SCN1A (0.52)
SCHEMBL1380832 0.81 SCN9A (0.45) MAPTALDH1A1SMN1; SMN2CCR4HTT
SCHEMBL1379057 0.80 SLC40A1 (0.51) MAPTCCR4
SCHEMBL1378178 0.80 PGR (0.55) MAPTCCR4HTTLMNAL3MBTL1
SCHEMBL1381424 0.79 HSD11B1 (0.63) MAPTCCR4EDNRBEDNRAMEN1
SCHEMBL1381278 0.78 MEN1 (0.43) ALDH1A1SMN1; SMN2L3MBTL1TDP1MEN1

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 MAPT 3264/4885USP2 3347/4885ESR2 353/4885

“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.