SCHEMBL760979

SCHEMBL760979

O=C(O)c1cccc(Oc2ccc3c(c2)S(=O)(=O)NCCO3)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
AKR1C3 P42330 1/20 0.48
KMO O15229 1/20 0.45
KDM4E B2RXH2 1/20 0.43
PPARG P37231 2/20 0.41
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 1/20 0.40
GRIA2 P42262 5/20 0.40
FAAH O00519 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL760980 0.89 AKR1C3 (0.48) AKR1C3KMOKDM4EPPARGNPC1
SCHEMBL753235 0.87 KEAP1 (0.60) KEAP1GRIA2
SCHEMBL783111 0.86 KEAP1 (0.43) KEAP1KDM4ENPC1POLBCYP2C9
SCHEMBL756185 0.85 KEAP1 (0.44) KEAP1AKR1C3PPARGNPC1RAB9A
SCHEMBL757862 0.83 KEAP1 (0.40) KEAP1KDM4ENPC1POLBRAB9A
SCHEMBL757860 0.83 KEAP1 (0.40) KEAP1KDM4ENPC1POLBRAB9A
SCHEMBL762296 0.83 GRIA2 (0.55) KEAP1NPC1RAB9AGRIA2
SCHEMBL1972444 0.79 AKR1C3 (0.50) AKR1C3KMOKDM4ENPC1POLB
SCHEMBL783110 0.77 MAPT (0.42) KDM4ENPC1POLBRAB9A
SCHEMBL757752 0.76 KEAP1 (0.42) KEAP1KDM4ENPC1RAB9AGRIA2

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
US-20120071462-A1 Dihydrobenzoxathiazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2012-03-22 US 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
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 2482/4885AKR1C3 844/4885KMO 303/4885

“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.