SCHEMBL2776346

SCHEMBL2776346

NS(=O)(=O)c1c(F)ccc(F)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.46
CA1 P00915 7/20 0.46
CA7 P43166 6/20 0.46
CA12 O43570 5/20 0.46
CA13 Q8N1Q1 4/20 0.46
CA9 Q16790 3/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
CA3 P07451 1/20 0.43
PTGES2 Q9H7Z7 5/20 0.41
SOS1 Q07889 2/20 0.40
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39

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
SCHEMBL2775322 0.84 PTGS1 (0.42) CA2CA1CA7CA12CA13
SCHEMBL2937321 0.78 CA1 (0.48) CA2CA1CA7CA12CA13
SCHEMBL29009953 0.77 DAO (0.33) CA2CA1PTGES2CCNE1CDK2
SCHEMBL2776177 0.76 CA1 (0.62) CA2CA1CA7CA12CA13
SCHEMBL31000067 0.76 CA1 (0.62) CA2CA1CA7CA12CA13
SCHEMBL20485996 0.76 CA2 (0.45) CA2CA1CA7CA12CA13
SCHEMBL5348292 0.74 CA1 (0.48) CA2CA1CA7CA12CA13
SCHEMBL2775478 0.74 CA1 (0.36) CA2CA1CA7CA12CA13
SCHEMBL2775699 0.74 CA1 (0.40) CA2CA1CA7CA12CA13
SCHEMBL2791703 0.74 PKM (0.47) CA2CA1CA7CA12CA13

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 CA2 1509/4885CA1 3557/4885CA7 3787/4885

“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.