SCHEMBL781907

SCHEMBL781907

CC(C)(C)OC(=O)N1CCOc2ccc(Br)cc2S1(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.37
USP30 Q70CQ3 5/20 0.35
LMNA P02545 2/20 0.34
SCD5 Q86SK9 1/20 0.34
BACE1 P56817 4/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR183 P32249 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL783121 0.87 ESR2 (0.42) GPR119USP30SCD5USP2SMN1; SMN2
SCHEMBL781899 0.84 GPR119 (0.36) GPR119USP30SCD5USP2SMN1; SMN2
SCHEMBL781918 0.81 FAAH (0.39) USP30
SCHEMBL760249 0.81 LMNA (0.37) LMNAMAPTHTTBLM
SCHEMBL781904 0.76 GRIA2 (0.40) GPR119SMN1; SMN2
SCHEMBL302938 0.76 LMNA (0.48) USP30LMNABACE1MAPTHTT
SCHEMBL30375885 0.76 LMNA (0.48) USP30LMNABACE1MAPTHTT
SCHEMBL782099 0.75 MAPT (0.39) LMNASMN1; SMN2MAPT
SCHEMBL25340956 0.74 LMNA (0.40) LMNAMAPTHTTBLM
SCHEMBL31568182 0.74 GPR119 (0.39) GPR119USP30LMNABACE1SMN1; SMN2

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 2 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
US-20120071462-A1 Dihydrobenzoxathiazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2012-03-22 US 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 GPR119 164/4885USP30 2228/4885LMNA 3262/4885

“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.