SCHEMBL2777644

SCHEMBL2777644

NS(=O)(=O)c1cc(Cl)c(Cl)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.47
CA2 P00918 12/20 0.47
CA9 Q16790 6/20 0.47
CA4 P22748 5/20 0.47
CA12 O43570 5/20 0.47
CA7 P43166 5/20 0.47
CA6 P23280 4/20 0.47
CA5A P35218 4/20 0.47
CA14 Q9ULX7 4/20 0.47
CA5B Q9Y2D0 4/20 0.47
CA3 P07451 3/20 0.47
CA13 Q8N1Q1 4/20 0.45
LMNA P02545 1/20 0.45
CYP2C9 P11712 1/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTGES2 Q9H7Z7 4/20 0.42
CISD1 Q9NZ45 1/20 0.41

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
SCHEMBL2777246 0.89 CA2 (0.46) CA1CA2CA9CA4CA12
SCHEMBL2777121 0.89 CA2 (0.46) CA1CA2CA9CA4CA12
SCHEMBL20485809 0.84 CA1 (0.55) CA1CA2CA9CA4CA12
SCHEMBL14228553 0.84 CA1 (0.51) CA1CA2CA9CA4CA12
SCHEMBL3500908 0.83 CA1 (0.56) CA1CA2CA9CA4CA12
SCHEMBL1699945 0.82 CA1 (0.57) CA1CA2CA9CA4CA12
SCHEMBL11552993 0.79 CA1 (0.55) CA1CA2CA9CA4CA12
SCHEMBL15076647 0.79 CA1 (0.72) CA1CA2CA9CA4CA12
SCHEMBL602969 0.79 CA2 (0.40) CA1CA2CA9CA4CA12
SCHEMBL330135 0.79 CA12 (0.72) CA1CA2CA9CA4CA12

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104903290-B Compound having ability to inhibit 11beta-HSD1 enzyme or pharmaceutically acceptable salt thereof, method for producing same, and pharmaceutical composition containing same as active ingredient 安国乐品株式会社 2017-04-26 CN disclosed
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
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

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 1509/4885CA9 3951/4885

“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.