SCHEMBL2775503

SCHEMBL2775503

O=S1(=O)N=CN(CC2CC2)c2ccc(F)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
GRIA2 P42262 8/20 0.41
GRIA1 P42261 6/20 0.41
GRIA3 P42263 6/20 0.41
GRIA4 P48058 6/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
GRIN2A Q12879 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2775615 0.84 GRIA2 (0.40) NPSR1GRIA2GRIA1GRIA3GRIA4
SCHEMBL5349703 0.79 NPSR1 (0.50) NPSR1GRIA2GRIA1GRIA3GRIA4
SCHEMBL2776877 0.78 KMT2A (0.37) NPSR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2776459 0.76 GRIA2 (0.48) NPSR1GRIA2GRIA1GRIA3GRIA4
SCHEMBL29437629 0.75 GRIA2 (0.45) NPSR1GRIA2GRIA1GRIA3GRIA4
SCHEMBL28433292 0.75 GRIA2 (0.45) NPSR1GRIA2GRIA1GRIA3GRIA4
SCHEMBL5358667 0.68 NPSR1 (0.50) NPSR1GRIA2GRIA1GRIA3GRIA4
SCHEMBL2778463 0.68 GRIA2 (0.42) NPSR1GRIA2GRIA1GRIA3GRIA4
SCHEMBL2778320 0.68 GRIA2 (0.69) GRIA2GRIA1GRIA3GRIA4ALDH1A1
SCHEMBL5358301 0.67 GRIA2 (0.43) NPSR1GRIA2GRIA1GRIA3GRIA4

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 NPSR1 72/4885GRIA2 116/4885GRIA1 68/4885

“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.