SCHEMBL801940

SCHEMBL801940

CN1CCOc2ccc(Oc3ccccc3)cc2S1(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.46
FAAH O00519 3/20 0.43
NAAA Q02083 2/20 0.43
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
GPR142 Q7Z601 1/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADAM17 P78536 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL759900 0.82 FAAH (0.44) GRIA2FAAHNAAAFFAR1FFAR4
SCHEMBL781918 0.79 FAAH (0.39) GRIA2FAAHNAAAFFAR1FFAR4
SCHEMBL24568190 0.77 KEAP1 (0.47) LMNASMN1; SMN2
SCHEMBL802352 0.76 PIK3CA (0.39) HSD17B10LMNAKMT2A
SCHEMBL1977498 0.76 GRIA2 (0.61) GRIA2FFAR1FFAR4MMP2MMP9
SCHEMBL801403 0.75 DRD2 (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9697083 0.75 CA12 (0.44) SMN1; SMN2
SCHEMBL25340956 0.75 LMNA (0.40) LMNA
SCHEMBL11913911 0.74 ADAM17 (0.51) GRIA2FFAR1FFAR4MMP2MMP9
SCHEMBL753235 0.74 KEAP1 (0.60) GRIA2FFAR1FFAR4

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 GRIA2 77/4885FAAH 437/4885NAAA 836/4885

“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.