SCHEMBL1880968

SCHEMBL1880968

O=S(=O)(NCCCOc1ccccc1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.72
MAPK1 P28482 1/20 0.71
HTT P42858 2/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
LMNA P02545 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
KDM4E B2RXH2 1/20 0.68
PKM P14618 1/20 0.68
TSHR P16473 1/20 0.65
NPSR1 Q6W5P4 1/20 0.59
TDP1 Q9NUW8 1/20 0.57
TBXA2R P21731 2/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55
CA9 Q16790 1/20 0.55
DRD2 P14416 1/20 0.55

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
SCHEMBL1876555 0.95 ALDH1A1 (0.71) ALDH1A1MAPK1HTTMEN1KMT2A
SCHEMBL411104 0.95 ALDH1A1 (0.79) ALDH1A1MAPK1HTTMEN1KMT2A
SCHEMBL10613964 0.89 HTT (0.66) ALDH1A1MAPK1HTTMEN1KMT2A
SCHEMBL13889018 0.85 HTT (0.74) ALDH1A1MAPK1HTTMEN1KMT2A
SCHEMBL10613191 0.85 MEN1 (0.60) ALDH1A1MAPK1HTTMEN1KMT2A
SCHEMBL12672465 0.84 ALDH1A1 (0.82) ALDH1A1MAPK1HTTMEN1KMT2A
SCHEMBL12640167 0.84 ALDH1A1 (0.82) ALDH1A1MAPK1HTTMEN1KMT2A
SCHEMBL3765016 0.84 HTT (0.72) ALDH1A1MAPK1HTTMEN1KMT2A
SCHEMBL10453840 0.83 ALDH1A1 (0.96) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL25132140 0.83 HTT (1.00) ALDH1A1MAPK1HTTMEN1KMT2A

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 ALDH1A1 1694/4885MAPK1 1741/4885HTT 330/4885
US-20070191341-A1 N-Substituted Benzene Sulfonamides PSEN1, PSEN2, BACE1 ALDH1A1 897/4885MAPK1 3131/4885HTT 188/4885
US-20110212920-A1 N-Substituted Benzene Sulfonamides PSEN1, PSEN2, BACE1 ALDH1A1 897/4885MAPK1 3131/4885HTT 188/4885

“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.