SCHEMBL1877899

SCHEMBL1877899

O=C1NCCCCC1NS(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
BACE1 P56817 1/20 0.51
KDM4E B2RXH2 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
USP2 O75604 1/20 0.45
THRB P10828 1/20 0.45
ALOX5AP P20292 2/20 0.45
FEN1 P39748 1/20 0.45
MCOLN2 Q8IZK6 2/20 0.44
MCOLN1 Q9GZU1 2/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL1876072 1.00 ALDH1A1 (0.51) ALDH1A1BACE1KDM4ENPSR1MMP2
SCHEMBL1873720 0.95 BACE1 (0.47) ALDH1A1BACE1KDM4ENPSR1MMP2
SCHEMBL1876455 0.95 BACE1 (0.47) ALDH1A1BACE1KDM4ENPSR1MMP2
SCHEMBL15172004 0.89 USP2 (0.48) ALDH1A1BACE1NPSR1MMP2MMP9
SCHEMBL1876365 0.89 USP2 (0.48) ALDH1A1BACE1NPSR1MMP2MMP9
SCHEMBL1871813 0.89 USP2 (0.48) ALDH1A1BACE1NPSR1MMP2MMP9
SCHEMBL2399329 0.86 MMP2 (0.51) ALDH1A1KDM4EMMP2MMP9THRB
SCHEMBL15172491 0.86 RAB9A (0.56) ALDH1A1BACE1KDM4ESMN1; SMN2RECQL
SCHEMBL5518996 0.86 MMP2 (0.51) ALDH1A1KDM4EMMP2MMP9THRB
SCHEMBL5568155 0.86 MAPK1 (0.56) ALDH1A1BACE1KDM4EALOX5APFEN1

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 7 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
EP-1768960-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP disclosed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO 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 ALDH1A1 1694/4885BACE1 1/4885KDM4E 430/4885
US-20070191341-A1 N-Substituted Benzene Sulfonamides PSEN1, PSEN2, BACE1 ALDH1A1 897/4885BACE1 3/4885KDM4E 2539/4885
US-20110212920-A1 N-Substituted Benzene Sulfonamides PSEN1, PSEN2, BACE1 ALDH1A1 897/4885BACE1 3/4885KDM4E 2539/4885

“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.