SCHEMBL1380873

SCHEMBL1380873

COc1ccc(S(=O)(=O)Nc2ccnc(C(C)C)n2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
MAPK1 P28482 1/20 0.62
ALDH1A1 P00352 4/20 0.53
PKM P14618 1/20 0.53
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
FFAR4 Q5NUL3 1/20 0.49
TSHR P16473 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
TP53 P04637 1/20 0.47
SCN9A Q15858 1/20 0.47

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
SCHEMBL1379254 0.81 HSD11B1 (0.60) KMT2AMEN1ALDH1A1PKMLMNA
SCHEMBL1380832 0.80 SCN9A (0.45) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL1380781 0.78 L3MBTL1 (0.55) KMT2AMEN1ALDH1A1PKMLMNA
SCHEMBL1378178 0.77 PGR (0.55) PKMLMNAHTTKDM4E
SCHEMBL1380635 0.76 HSD11B1 (0.58) KMT2AMEN1MAPK1ALDH1A1LMNA
SCHEMBL5409796 0.76 KMT2A (0.56) KMT2AMEN1MAPK1ALDH1A1PKM
SCHEMBL1378584 0.75 HSD11B1 (0.57) ALDH1A1LMNAKDM4ESCN9A
SCHEMBL1379030 0.74 SLC40A1 (0.54) KMT2AMEN1TSHRSCN9A
SCHEMBL23015779 0.72 CYP1A2 (0.40) KMT2AMEN1MAPK1ALDH1A1LMNA
SCHEMBL1378270 0.71 SCN9A (0.44) KMT2AMEN1ALDH1A1HTTSCN9A

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
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
EP-2243494-A1 Pharmaceutical composition, comprising a steroid-dehydrogenase-reductase inhibitor, and a mineralocorticoid receptor antagonist. OntoChem GmbH (DE) 2010-10-27 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
WO-2010121814-A1 PHARMACEUTICAL COMPOSITION, COMPRISING A STEROID-DEHYDROGENASE-REDUCTASE INHIBITOR, AND A MINERALOCORTICOID RECEPTOR ANTAGONIST ONTOCHEM GMBH (DE) 2010-10-28 WO disclosed
EP-2243494-A1 Pharmaceutical composition, comprising a steroid-dehydrogenase-reductase inhibitor, and a mineralocorticoid receptor antagonist. OntoChem GmbH (DE) 2010-10-27 EP disclosed
CN-1972918-B Pyrimidine derivatives HOFFMANN LA ROCHE 2010-10-13 CN disclosed
US-7507733-B2 11b-HSD1 inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
CN-1972918-A Pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-05-30 CN 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 KMT2A 3712/4885MEN1 1164/4885MAPK1 570/4885

“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.