SCHEMBL2774091

SCHEMBL2774091

NS(=O)(=O)c1ccc(Cl)cc1NC1CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.46
CA2 P00918 8/20 0.46
CA3 P07451 7/20 0.46
CA6 P23280 7/20 0.46
CA7 P43166 7/20 0.46
CA5B Q9Y2D0 7/20 0.46
CA12 O43570 7/20 0.46
CA9 Q16790 6/20 0.46
CA14 Q9ULX7 5/20 0.46
CA13 Q8N1Q1 4/20 0.46
CISD1 Q9NZ45 1/20 0.46
CA4 P22748 1/20 0.46
PTGES2 Q9H7Z7 8/20 0.45
CA5A P35218 5/20 0.40
KMT5B Q4FZB7 1/20 0.38
KMT5C Q86Y97 1/20 0.38
MCL1 Q07820 1/20 0.38
CCR2 P41597 1/20 0.38

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
SCHEMBL2776540 0.94 CA1 (0.50) CA1CA2CA3CA6CA7
SCHEMBL2776617 0.94 CA1 (0.53) CA1CA2CA3CA6CA7
SCHEMBL2780917 0.92 CA1 (0.55) CA1CA2CA3CA6CA7
SCHEMBL2777720 0.92 CA1 (0.55) CA1CA2CA3CA6CA7
SCHEMBL2776143 0.92 CA1 (0.55) CA1CA2CA3CA6CA7
SCHEMBL2775945 0.87 PTGES2 (0.49) CA1CA2CA3CA6CA7
SCHEMBL2774627 0.81 CA1 (0.53) CA1CA2CA3CA6CA7
SCHEMBL2781077 0.81 CA1 (0.40) CA1CA2CA3CA6CA7
SCHEMBL2775821 0.81 PTGES2 (0.45) CA1CA2CA3CA6CA7
SCHEMBL2776613 0.81 PTGES2 (0.43) 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.