SCHEMBL757752

SCHEMBL757752

Cc1nnc(-c2cccc(Oc3ccc4c(c3)S(=O)(=O)NCCO4)c2)o1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
GRIA2 P42262 6/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
ADCY1 Q08828 1/20 0.35
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.34
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34

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
SCHEMBL760208 0.83 KEAP1 (0.41) KEAP1GRIA2SMN1; SMN2HPGDLMNA
SCHEMBL757397 0.82 RAB9A (0.46) KEAP1GRIA2SMN1; SMN2HPGDLMNA
SCHEMBL757739 0.81 KEAP1 (0.43) KEAP1GRIA2
SCHEMBL757503 0.79 PIK3CD (0.36) SMN1; SMN2HPGDALDH1A1HTTADCY1
SCHEMBL753235 0.78 KEAP1 (0.60) KEAP1GRIA2
SCHEMBL762296 0.77 GRIA2 (0.55) KEAP1GRIA2SMN1; SMN2ALDH1A1NPC1
SCHEMBL758224 0.77 KEAP1 (0.42) KEAP1GRIA2GAA
SCHEMBL765578 0.77 KEAP1 (0.42) KEAP1GRIA2
SCHEMBL783111 0.76 KEAP1 (0.43) KEAP1GRIA2SMN1; SMN2HPGDLMNA
SCHEMBL760979 0.76 KEAP1 (0.48) KEAP1GRIA2KDM4ENPC1RAB9A

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 2482/4885GRIA2 77/4885SMN1; SMN2 2283/4885

“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.