SCHEMBL2778622

SCHEMBL2778622

O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)NCN2C1CCC1

nearest known ligand 0.90

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 14/20 0.57
GRIA1 P42261 3/20 0.57
GRIA3 P42263 3/20 0.57
GRIA4 P48058 3/20 0.57
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.42
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL2779763 0.95 GRIA2 (0.64) GRIA2GRIA1GRIA3GRIA4ABCC8
SCHEMBL2774118 0.86 GRIA2 (0.65) GRIA2GRIA1GRIA3GRIA4ABCC8
SCHEMBL2775051 0.76 GRIA2 (0.89) GRIA2GRIA1GRIA3GRIA4CA12
SCHEMBL5625624 0.75 ALDH1A1 (0.59) ABCC8KCNJ11SIRT2CA12CA9
SCHEMBL2775552 0.73 GRIA2 (0.70) GRIA2GRIA1GRIA3GRIA4
SCHEMBL2774098 0.73 GRIA2 (0.70) GRIA2GRIA1GRIA3GRIA4
SCHEMBL2776117 0.73 GRIA2 (0.62) GRIA2GRIA1GRIA3GRIA4
SCHEMBL2774819 0.73 GRIA2 (0.79) GRIA2GRIA1GRIA3GRIA4
SCHEMBL2779104 0.73 GRIA2 (1.00) GRIA2GRIA1GRIA3GRIA4
SCHEMBL5355755 0.72 GRIA2 (0.65) GRIA2GRIA1GRIA3GRIA4CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2147915-B1 New cycloalkylated benzothiadiazine derivatives, method of preparing same and pharmaceutical compositions containing them SERVIER LAB (FR) 2010-09-15 EP disclosed
US-7741320-B2 Cycloalkylated benzothiadiazines, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2010-06-22 US disclosed
EP-2147915-A1 New cycloalkylated benzothiadiazine derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2010-01-27 EP disclosed
US-20100009974-A1 Cycloalkylated benzothiadiazines, a process for their preparation and pharmaceutical compostions containing them LES LABORATOIRES SERVIER (FR) 2010-01-14 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-20100009974-A1 Cycloalkylated benzothiadiazines, a process for their preparation and pharmaceutical compostions containing them ACLY, HCAR1, GABRG1 GRIA2 116/4885GRIA1 68/4885GRIA3 126/4885

“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.