SCHEMBL781900

SCHEMBL781900

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.36
GPR119 Q8TDV5 3/20 0.34
SCD5 Q86SK9 1/20 0.33
EGFR P00533 1/20 0.33
BTK Q06187 1/20 0.33
NR1H2 P55055 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RIPK1 Q13546 1/20 0.32
GPR183 P32249 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
ESR2 Q92731 1/20 0.31
MAPT P10636 2/20 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
SCHEMBL781899 0.89 GPR119 (0.36) USP30GPR119SCD5EGFRBTK
SCHEMBL30935371 0.77 EGFR (0.43) USP30EGFRBTKMAPTTP53
SCHEMBL855880 0.75 RIPK1 (0.47) USP30GPR119SCD5NR1H2USP2
SCHEMBL783121 0.74 ESR2 (0.42) USP30GPR119SCD5EGFRBTK
SCHEMBL781907 0.73 GPR119 (0.37) USP30GPR119SCD5USP2SMN1; SMN2
SCHEMBL801936 0.70 HPGD (0.35) SMN1; SMN2
SCHEMBL781918 0.69 FAAH (0.39) USP30
SCHEMBL2363147 0.65 NR1H2 (0.46) USP30EGFRBTKNR1H2MAPT
SCHEMBL2559623 0.64 ESR2 (0.59) GPR119NR1H2USP2SMN1; SMN2ESR2
SCHEMBL30935244 0.64 KDM1A (0.33) GPR119SCD5NR1H2GPR183

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 USP30 2228/4885GPR119 164/4885SCD5 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.