SCHEMBL5514575

SCHEMBL5514575

COc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 1.00
PSEN2 P49810 20/20 1.00
APH1B Q8WW43 20/20 1.00
NCSTN Q92542 20/20 1.00
APH1A Q96BI3 20/20 1.00
PSENEN Q9NZ42 20/20 1.00

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
SCHEMBL5514434 1.00 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5514549 0.97 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5522443 0.97 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5524712 0.94 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5513721 0.94 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1877844 0.92 PSEN1 (0.85) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2398980 0.92 PSEN1 (0.85) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14275134 0.92 PSEN1 (0.85) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5567989 0.91 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5518250 0.91 PSEN1 (0.83) PSEN1PSEN2APH1BNCSTNAPH1A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208488-B2 N-substituted benzene sulfonamides ELAN PHARMACEUTICALS, INC. (US) 2007-04-24 US claimed
EP-1768960-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP claimed
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 US claimed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO claimed
US-20050165003-A1 Treating Alzheimer's Disease; 4-Chloro-N-(4-hydroxy-3-methoxy-benzyl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamide for example; gamma secretase inhibitors; inhibition of beta-amyloid synthesis with minimal inhibition of Notch Signaling ELAN PHARMACEUTICALS, INC. 2005-07-28 US claimed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1768960-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP disclosed
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 US disclosed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO 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 (2 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-20050165003-A1 Treating Alzheimer's Disease; 4-Chloro-N-(4-hydroxy-3-methoxy-benzyl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamide for example; gamma secretase inhibitors; inhibition of beta-amyloid synthesis with minimal inhibition of Notch Signaling BACE1, PSEN1, BACE2 PSEN1 2/4885PSEN2 5/4885APH1B 8/4885
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. BACE1, APP, BACE2 PSEN1 6/4885PSEN2 14/4885APH1B 8/4885

“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.