SCHEMBL781899

SCHEMBL781899

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.36
USP30 Q70CQ3 2/20 0.34
SCD5 Q86SK9 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR183 P32249 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
EGFR P00533 1/20 0.31
BTK Q06187 1/20 0.31
ESR2 Q92731 1/20 0.31
MAPT P10636 2/20 0.30
NR1H2 P55055 1/20 0.30
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL781900 0.89 USP30 (0.36) GPR119USP30SCD5USP2SMN1; SMN2
SCHEMBL783121 0.85 ESR2 (0.42) GPR119USP30SCD5USP2SMN1; SMN2
SCHEMBL781907 0.84 GPR119 (0.37) GPR119USP30SCD5USP2SMN1; SMN2
SCHEMBL781918 0.80 FAAH (0.39) USP30
SCHEMBL801936 0.77 HPGD (0.35) SMN1; SMN2
SCHEMBL30935371 0.77 EGFR (0.43) USP30EGFRBTKMAPTTP53
SCHEMBL855880 0.75 RIPK1 (0.47) GPR119USP30SCD5USP2SMN1; SMN2
SCHEMBL781904 0.74 GRIA2 (0.40) GPR119SMN1; SMN2
SCHEMBL782099 0.73 MAPT (0.39) SMN1; SMN2MAPTTP53
SCHEMBL782225 0.72 LMNA (0.47) GPR119SCD5SMN1; SMN2MAPTTP53

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 2228/4885SCD5 2240/4885

“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.