SCHEMBL1876554

SCHEMBL1876554

NS(=O)(=O)c1ccccc1CCCCOc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.50
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
CA12 O43570 4/20 0.48
CA7 P43166 3/20 0.48
PDIA6 Q15084 1/20 0.45
AR P10275 1/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL1880967 0.95 CA1 (0.49) KCNA3CA1CA2CA9CA12
SCHEMBL411103 0.90 CA2 (0.54) KCNA3CA1CA2CA9CA12
SCHEMBL8355995 0.83 CA2 (0.48) CA1CA2CA9CA12CA7
SCHEMBL10553004 0.80 ADRB2 (0.46) CA1CA2CA9CA12CA7
SCHEMBL10550048 0.80 ADRB2 (0.46) CA1CA2CA9CA12CA7
SCHEMBL1128972 0.80 CA2 (0.51) CA1CA2CA9CA12CA7
SCHEMBL21092385 0.80 ADRB2 (0.50) CA1CA2CA9CA12CA7
SCHEMBL1809375 0.78 CA2 (0.44) CA1CA2CA9CA12CA7
SCHEMBL6671590 0.78 CA1 (0.44) CA1CA2CA9CA12CA7
SCHEMBL8349565 0.77 CA2 (0.54) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212920-A1 N-Substituted Benzene Sulfonamides NEITZEL MARTIN 2011-09-01 US disclosed
US-7939657-B2 N-substituted benzene sulfonamides ELAN PHARMACEUTICALS, INC. (US) 2011-05-10 US disclosed
US-20070191341-A1 N-Substituted Benzene Sulfonamides ELAN PHARMACEUTICALS, INC. 2007-08-16 US disclosed
US-7208488-B2 N-substituted benzene sulfonamides ELAN PHARMACEUTICALS, INC. (US) 2007-04-24 US disclosed
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 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 (3 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 KCNA3 2737/4885CA1 839/4885CA2 3100/4885
US-20070191341-A1 N-Substituted Benzene Sulfonamides PSEN1, PSEN2, BACE1 KCNA3 1759/4885CA1 591/4885CA2 3239/4885
US-20110212920-A1 N-Substituted Benzene Sulfonamides PSEN1, PSEN2, BACE1 KCNA3 1759/4885CA1 591/4885CA2 3239/4885

“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.