SCHEMBL1380083

SCHEMBL1380083

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 7/20 0.44
SCN5A Q14524 7/20 0.44
SCN8A Q9UQD0 7/20 0.44
SGK1 O00141 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
PIK3C3 Q8NEB9 2/20 0.42
NR1I2 O75469 1/20 0.41
CYP2C9 P11712 1/20 0.41
SCN1B Q07699 1/20 0.41
SCN9A Q15858 1/20 0.41
SCN2A Q99250 1/20 0.41
AXL P30530 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NR3C2 P08235 2/20 0.40
KIT P10721 1/20 0.40
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL1381333 0.90 PIK3C3 (0.48) SCN1ASCN5ASCN8APIK3C3
SCHEMBL1379711 0.89 MEP1B (0.43) SCN1ASCN5ASCN8APIK3C3SMN1; SMN2
SCHEMBL1381156 0.84 SCN1A (0.52) SCN1ASCN5ASCN8ANR1I2CYP2C9
SCHEMBL1381965 0.81 SCN1A (0.49) SCN1ASCN5ASCN8ASGK1KDM4E
SCHEMBL3934591 0.79 HSD11B1 (0.48) SCN1ASCN5ASCN8AKDM4EGLA
SCHEMBL1378301 0.78 PIK3C3 (0.52) SCN1ASCN5ASCN8ASGK1KDM4E
SCHEMBL1378352 0.78 MAPT (0.50) GLASMN1; SMN2
SCHEMBL1380433 0.78 SLC40A1 (0.49) PIK3C3
SCHEMBL29835236 0.75 SCN1A (0.59) SCN1ASCN5ASCN8ACYP2C9SCN9A
SCHEMBL14921549 0.75 PIK3C3 (0.50) SCN1ASCN5ASCN8AKDM4EGLA

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.