SCHEMBL1979031

SCHEMBL1979031

O=S1(=O)NCCNc2ccc(Oc3cccc(F)c3)cc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 9/20 0.41
KCNH2 Q12809 1/20 0.40
SCN3A Q9NY46 1/20 0.40
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
SCN9A Q15858 1/20 0.38
VEGFA P15692 2/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HTR1A P08908 3/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 2/20 0.36
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 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
SCHEMBL1980510 0.90 VEGFA (0.45) GRIA2VEGFAFFAR1FFAR4
SCHEMBL1977428 0.88 GRIA2 (0.40) GRIA2VEGFA
SCHEMBL1967915 0.87 GRIA2 (0.53) GRIA2MMP2MMP9FFAR1FFAR4
SCHEMBL2809179 0.82 GRIA2 (0.57) GRIA2VEGFASLC6A2SLC6A4SLC6A3
SCHEMBL1972444 0.81 AKR1C3 (0.50) GRIA2
SCHEMBL1969371 0.81 GRIA2 (0.39) GRIA2FFAR1FFAR4
SCHEMBL1970203 0.80 GRIA2 (0.40) GRIA2
SCHEMBL1971790 0.80 GRIA2 (0.40) GRIA2MMP2MMP9
SCHEMBL3761028 0.80 GRIA2 (0.40) GRIA2MMP2MMP9
Hydrochloric Acid SCHEMBL2811105 0.79 GRIA2 (0.40) GRIA2MMP2MMP9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236790-B2 Benzothiadiazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATORIES SERVIER (FR) 2012-08-07 US disclosed
EP-2246339-B1 Derivatives of benzothiazepine and their use as modulators of AMPA and NMDA receptors SERVIER LAB (FR) 2011-06-22 EP disclosed
EP-2246339-A1 Derivatives of benzothiazepine and their use as modulators of AMPA and NMDA receptors Les Laboratoires Servier (FR) 2010-11-03 EP disclosed
WO-2010106249-A1 BENZOTHIADIAZEPINE DERIVATIVES USED AS AMPA AND NMDA RECEPTOR MODULATORS LES LABORATOIRES SERVIER (FR) 2010-09-23 WO disclosed
US-20100240635-A1 Benzothiadiazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2010-09-23 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-20100240635-A1 Benzothiadiazepine compounds, a process for their preparation and pharmaceutical compositions containing them GRIN1, GRIN2B, GRIN3A GRIA2 45/4885KCNH2 194/4885SCN3A 207/4885

“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.