SCHEMBL801403

SCHEMBL801403

CN1CCOc2ccc(O)cc2S1(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD1 P21728 2/20 0.43
DRD5 P21918 2/20 0.43
DRD3 P35462 2/20 0.43
DRD4 P21917 1/20 0.43
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HPGD P15428 1/20 0.37
CYP3A4 P08684 1/20 0.36
CA2 P00918 2/20 0.36
CA5A P35218 2/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
CHRNB4 P30926 4/20 0.35
CHRNA3 P32297 4/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL802352 0.83 PIK3CA (0.39) HPGDALDH1A1HTTMAPT
SCHEMBL25340956 0.82 LMNA (0.40) HPGDCA2HTTMAPT
SCHEMBL9697083 0.82 CA12 (0.44) HPGDCA2ALDH1A1SMN1; SMN2HTT
SCHEMBL801936 0.81 HPGD (0.35) DRD2DRD1DRD5DRD3DRD4
SCHEMBL765216 0.79 DRD2 (0.36) DRD2DRD1DRD5DRD3DRD4
SCHEMBL24568190 0.78 KEAP1 (0.47) CA2SMN1; SMN2HTT
SCHEMBL801940 0.75 GRIA2 (0.46) DRD2DRD1DRD5DRD3DRD4
SCHEMBL783121 0.75 ESR2 (0.42) DRD2DRD1DRD5DRD3DRD4
SCHEMBL25955579 0.74 LPL (0.33) CA2CA5AALDH1A1HTT
SCHEMBL1777226 0.73 PIK3C3 (0.44) ALDH1A1HTT

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 DRD2 111/4885DRD1 113/4885DRD5 195/4885

“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.