SCHEMBL757862

SCHEMBL757862

CC(=NO)NC(=O)c1cccc(Oc2ccc3c(c2)S(=O)(=O)NCCO3)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.40
RAB9A P51151 6/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 7/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 2/20 0.37
HDAC8 Q9BY41 1/20 0.35
GRIA2 P42262 3/20 0.35
RIPK1 Q13546 1/20 0.35
ADCY1 Q08828 1/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
CCR2 P41597 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
SCHEMBL757860 1.00 KEAP1 (0.40) KEAP1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL757861 0.91 KDM4E (0.39) RAB9AALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL756185 0.83 KEAP1 (0.44) KEAP1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL760979 0.83 KEAP1 (0.48) KEAP1RAB9ANPC1KDM4EPOLB
SCHEMBL783111 0.81 KEAP1 (0.43) KEAP1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL753235 0.77 KEAP1 (0.60) KEAP1GRIA2
SCHEMBL762296 0.75 GRIA2 (0.55) KEAP1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL760980 0.72 AKR1C3 (0.48) RAB9AALDH1A1NPC1KDM4EPOLB
SCHEMBL756187 0.72 LMNA (0.35) KEAP1LMNACTNNB1WNT3A
SCHEMBL756184 0.72 LMNA (0.35) KEAP1LMNACTNNB1WNT3A

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 4 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
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 2482/4885RAB9A 3419/4885ALDH1A1 429/4885

“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.