SCHEMBL2776459

SCHEMBL2776459

O=S1(=O)N=CN(C2CC2)c2ccc(F)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 9/20 0.48
GRIA1 P42261 8/20 0.48
GRIA3 P42263 8/20 0.48
GRIA4 P48058 8/20 0.48
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.33
CHRNA1 P02708 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR3A P46098 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31

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
SCHEMBL2778463 0.88 GRIA2 (0.42) GRIA2GRIA1GRIA3GRIA4NPSR1
SCHEMBL2777802 0.82 GRIA2 (0.42) GRIA2GRIA1GRIA3GRIA4MEN1
SCHEMBL2773458 0.82 CA12 (0.32) GRIA2GRIA1GRIA3GRIA4ALDH1A1
SCHEMBL2777706 0.82 GRIA1 (0.31) GRIA2GRIA1GRIA3GRIA4
SCHEMBL2777234 0.82 POLB (0.39) NPSR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2179051 0.79 GRIA2 (0.45) GRIA2KDM4EALDH1A1HSD17B10ABCC8
SCHEMBL2774604 0.78 GRIA2 (0.43) GRIA2NPSR1KDM4EALDH1A1TP53
SCHEMBL2778011 0.78 NPSR1 (0.30) GRIA2GRIA1GRIA3GRIA4NPSR1
SCHEMBL2777823 0.78 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2AABCC8
SCHEMBL2776716 0.77 GRIA2 (0.43) GRIA2GRIA1GRIA3GRIA4ALDH1A1

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.