SCHEMBL801936

SCHEMBL801936

CN1CCOc2ccc(B(O)O)cc2S1(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
HSP90AA1 P07900 2/20 0.31
PAX8 Q06710 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 1/20 0.30
CYP2C19 P33261 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 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
SCHEMBL801403 0.81 DRD2 (0.43) HPGDSMN1; SMN2ALDH1A1HTTDRD2
SCHEMBL802352 0.80 PIK3CA (0.39) HPGDALDH1A1HTTMEN1KMT2A
SCHEMBL25340956 0.78 LMNA (0.40) HPGDHTT
SCHEMBL9697083 0.78 CA12 (0.44) HPGDSMN1; SMN2ALDH1A1HTTGAA
SCHEMBL24568190 0.74 KEAP1 (0.47) SMN1; SMN2HTTTSHRNPC1RAB9A
SCHEMBL16426878 0.73 PKM (0.41) ALDH1A1HTTMEN1KMT2ANPC1
SCHEMBL801940 0.72 GRIA2 (0.46) SMN1; SMN2KMT2AL3MBTL1DRD2DRD1
SCHEMBL25955579 0.71 LPL (0.33) ALDH1A1HTTGAAL3MBTL1
SCHEMBL1777226 0.70 PIK3C3 (0.44) ALDH1A1HTTMEN1KMT2APKM
SCHEMBL1523488 0.69 CYP11B1 (0.48) ALDH1A1HTTMEN1KMT2AL3MBTL1

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 HPGD 451/4885SMN1; SMN2 2283/4885ALDH1A1 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.