SCHEMBL1381965

SCHEMBL1381965

CC(C)(C)c1nccc(NS(=O)(=O)c2cc(F)ccc2F)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN8A Q9UQD0 1/20 0.49
PIK3C3 Q8NEB9 3/20 0.48
BRAF P15056 2/20 0.43
SGK1 O00141 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
NR1I2 O75469 1/20 0.42
AXL P30530 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR3C2 P08235 2/20 0.40
KIT P10721 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP2C19 P33261 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40

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
SCHEMBL1377475 0.89 PIK3C3 (0.48) SCN1ASCN5ASCN8APIK3C3KDM4E
SCHEMBL1380083 0.81 SCN1A (0.44) SCN1ASCN5ASCN8APIK3C3BRAF
SCHEMBL1378301 0.79 PIK3C3 (0.52) SCN1ASCN5ASCN8APIK3C3BRAF
SCHEMBL14921549 0.76 PIK3C3 (0.50) SCN1ASCN5ASCN8APIK3C3KDM4E
SCHEMBL29835236 0.76 SCN1A (0.59) SCN1ASCN5ASCN8A
SCHEMBL14921432 0.74 SCN5A (0.53) SCN1ASCN5ASCN8AKDM4EGLA
SCHEMBL29835250 0.74 SCN5A (0.53) SCN1ASCN5ASCN8AKDM4EGLA
SCHEMBL29835168 0.73 SCN1A (0.53) SCN1ASCN5ASCN8APIK3C3SGK1
SCHEMBL14920838 0.73 SCN5A (0.45) SCN1ASCN5ASCN8ASGK1KDM4E
SCHEMBL1378609 0.72 HSD11B1 (0.59) KDM4EATMSMN1; SMN2ALDH1A1LMNA

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
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
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
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
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 SCN1A 661/4885SCN5A 988/4885SCN8A 1928/4885

“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.