SCHEMBL2777555

SCHEMBL2777555

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.40
CA2 P00918 10/20 0.40
CA3 P07451 8/20 0.40
CA6 P23280 8/20 0.40
CA7 P43166 8/20 0.40
CA9 Q16790 7/20 0.40
CA12 O43570 7/20 0.40
CA14 Q9ULX7 6/20 0.40
CA5A P35218 6/20 0.40
CA13 Q8N1Q1 5/20 0.40
CA4 P22748 2/20 0.40
CA5B Q9Y2D0 7/20 0.39
CISD1 Q9NZ45 1/20 0.39
ROCK2 O75116 1/20 0.38
PTGES2 Q9H7Z7 3/20 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
SCHEMBL2776086 0.94 ROCK2 (0.41) CA1CA2CA3CA6CA7
SCHEMBL2775765 0.83 CA1 (0.50) CA1CA2CA3CA6CA7
SCHEMBL2776847 0.81 CA1 (0.43) CA1CA2CA3CA6CA7
SCHEMBL2776490 0.81 CNR2 (0.40) CA1CA2CA3CA6CA7
SCHEMBL2777101 0.80 PTGES2 (0.48) CA1CA2CA3CA6CA7
SCHEMBL28974855 0.79 ROCK2 (0.42) ROCK2KMT2ATDP1KDM1AKCNH2
SCHEMBL31702342 0.77 ROCK2 (0.39) CA1CA2CA3CA6CA7
SCHEMBL2775821 0.76 PTGES2 (0.45) CA1CA2CA3CA6CA7
SCHEMBL2775314 0.76 PTGES2 (0.41) CA1CA2CA3CA6CA7
SCHEMBL2775978 0.76 CA2 (0.40) 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 5 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
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 CA1 3557/4885CA2 1509/4885CA3 2222/4885

“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.