SCHEMBL2776086

SCHEMBL2776086

NS(=O)(=O)c1cc(Br)c(F)cc1NC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.41
CA1 P00915 10/20 0.39
CA2 P00918 10/20 0.39
CA3 P07451 8/20 0.39
CA6 P23280 8/20 0.39
CA7 P43166 8/20 0.39
CA5B Q9Y2D0 7/20 0.39
CA9 Q16790 7/20 0.39
CA12 O43570 7/20 0.39
CA14 Q9ULX7 6/20 0.39
CA13 Q8N1Q1 5/20 0.39
CA4 P22748 2/20 0.39
CISD1 Q9NZ45 1/20 0.39
CA5A P35218 6/20 0.38
PTGES2 Q9H7Z7 4/20 0.35
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
YAP1 P46937 1/20 0.33
KDM1A O60341 2/20 0.33
KCNH2 Q12809 2/20 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
SCHEMBL2777555 0.94 CA1 (0.40) ROCK2CA1CA2CA3CA6
SCHEMBL2777101 0.83 PTGES2 (0.48) ROCK2CA1CA2CA3CA6
SCHEMBL2775765 0.80 CA1 (0.50) ROCK2CA1CA2CA3CA6
SCHEMBL2776847 0.78 CA1 (0.43) CA1CA2CA3CA6CA7
SCHEMBL2776490 0.78 CNR2 (0.40) CA1CA2CA3CA6CA7
SCHEMBL25335478 0.77 ROCK2 (0.42) ROCK2KDM1AKCNH2KDM1B
SCHEMBL2775821 0.76 PTGES2 (0.45) CA1CA2CA3CA6CA7
SCHEMBL2775314 0.76 PTGES2 (0.41) CA1CA2CA3CA6CA7
SCHEMBL2775978 0.76 CA2 (0.40) CA1CA2CA3CA6CA7
SCHEMBL2775908 0.76 PTGES2 (0.49) CA1CA2CA3CA6CA7

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
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
WO-2010004139-A1 NEW CYCLOALKYLATED BENZOTHIADIAZINE DERIVATIVES, METHOD FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2010-01-14 WO 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 ROCK2 4799/4885CA1 3557/4885CA2 1509/4885

“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.