SCHEMBL2776248

SCHEMBL2776248

O=S1(=O)N=CN(C2CCCCC2)c2ccc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 6/20 0.42
GRIA1 P42261 5/20 0.42
GRIA3 P42263 5/20 0.42
GRIA4 P48058 5/20 0.42
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CNR1 P21554 2/20 0.34
IDO1 P14902 1/20 0.34
CNR2 P34972 2/20 0.33
SRD5A1 P18405 2/20 0.33
NOTUM Q6P988 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2775329 1.00 GRIA2 (0.42) GRIA2GRIA1GRIA3GRIA4CA12
SCHEMBL2777759 1.00 GRIA2 (0.42) GRIA2GRIA1GRIA3GRIA4CA12
SCHEMBL2776716 0.99 GRIA2 (0.43) GRIA2GRIA1GRIA3GRIA4CA12
SCHEMBL2777425 0.96 GRIA2 (0.43) GRIA2GRIA1GRIA3GRIA4CA12
SCHEMBL2777517 0.93 GRIA2 (0.48) GRIA2GRIA1GRIA3GRIA4CA12
SCHEMBL2779292 0.89 GRIA1 (0.36) GRIA2GRIA1GRIA3GRIA4CNR1
SCHEMBL2777136 0.89 GRIA1 (0.36) GRIA2GRIA1GRIA3GRIA4CNR1
SCHEMBL2777275 0.89 GRIA1 (0.36) GRIA2GRIA1GRIA3GRIA4CNR1
SCHEMBL2777423 0.88 GRIA1 (0.37) GRIA2GRIA1GRIA3GRIA4CA2
SCHEMBL2777124 0.85 GRIA1 (0.37) 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.