SCHEMBL757739

SCHEMBL757739

O=S1(=O)NCCOc2ccc(Oc3cccc(-c4ncco4)c3)cc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.43
LTA4H P09960 2/20 0.42
GRIA2 P42262 7/20 0.35
PIK3C3 Q8NEB9 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
MGLL Q99685 1/20 0.33
PIK3CD O00329 2/20 0.32
GRM5 P41594 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
FAAH O00519 1/20 0.31

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
SCHEMBL757752 0.81 KEAP1 (0.42) KEAP1GRIA2
SCHEMBL758224 0.81 KEAP1 (0.42) KEAP1GRIA2GPR119PIK3CD
SCHEMBL760208 0.80 KEAP1 (0.41) KEAP1GRIA2PIK3CDBACE1
SCHEMBL753235 0.79 KEAP1 (0.60) KEAP1GRIA2
SCHEMBL755183 0.78 LTA4H (0.41) LTA4HMGLLFAAH
SCHEMBL762296 0.78 GRIA2 (0.55) KEAP1GRIA2GRM5
SCHEMBL765578 0.77 KEAP1 (0.42) KEAP1GRIA2MGLLPIK3CD
SCHEMBL757397 0.77 RAB9A (0.46) KEAP1GRIA2
SCHEMBL760979 0.75 KEAP1 (0.48) KEAP1GRIA2FAAH
SCHEMBL758014 0.74 HDAC6 (0.40) KEAP1

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 2482/4885LTA4H 1395/4885GRIA2 77/4885

“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.