SCHEMBL755596

SCHEMBL755596

O=S1(=O)NCCOc2ccc(Br)cc21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.61
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
BLM P54132 1/20 0.42
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
AHR P35869 3/20 0.37
MAOB P27338 2/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
ADRA2A P08913 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL30016008 0.87 KEAP1 (0.61) KEAP1LMNAMAPTHTTBLM
SCHEMBL3993214 0.87 KEAP1 (0.61) KEAP1LMNAMAPTHTTBLM
SCHEMBL9696686 0.81 KEAP1 (0.61) KEAP1MAPTCA2CA1CA12
SCHEMBL20617339 0.81 KEAP1 (0.61) KEAP1CA2CA1CA12CA9
SCHEMBL29412497 0.76 KEAP1 (1.00) KEAP1LMNAHTTCA2CA1
SCHEMBL5511998 0.76 KEAP1 (1.00) KEAP1LMNAHTTCA2CA1
SCHEMBL9695029 0.76 KEAP1 (0.55) KEAP1LMNAMAPTCA1CA12
SCHEMBL753235 0.74 KEAP1 (0.60) KEAP1MAOB
SCHEMBL17957599 0.74 KEAP1 (0.52) KEAP1LMNAMAPTHTTCA2
SCHEMBL14480666 0.73 KEAP1 (0.51) KEAP1MAPTCA2CA1CA12

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-8569285-B2 Dihydrobenzoxathiazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2013-10-29 US disclosed
EP-2431360-B1 Derivatives of dihydrobenzoxathiazepine, method of preparing same and pharmaceutical compositions containing them as well as their uses as modulators of AMPA receptors SERVIER LAB (FR) 2013-04-17 EP disclosed
WO-2012035216-A1 DIHYDROBENZOXATHIAZEPINE DERIVATIVES, PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS AND USE AS AMPA RECEPTOR MODULATORS LES LABORATOIRES SERVIER (FR) 2012-03-22 WO disclosed
US-20120071462-A1 Dihydrobenzoxathiazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2012-03-22 US disclosed
EP-2431360-A1 Derivatives of dihydrobenzoxathiazepine, method of preparing same and pharmaceutical compositions containing them as well as their uses as modulators of AMPA receptors Les Laboratoires Servier (FR) 2012-03-21 EP 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-20120071462-A1 Dihydrobenzoxathiazepine compounds, a process for their preparation and pharmaceutical compositions containing them GABRA1, GRM1, GABRA5 KEAP1 2482/4885LMNA 3262/4885MAPT 2781/4885

“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.