SCHEMBL2778741

SCHEMBL2778741

N#Cc1ccc(NC2CC2)c(S(N)(=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 8/20 0.46
IRAK4 Q9NWZ3 2/20 0.40
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
GPR6 P46095 1/20 0.38
CA3 P07451 2/20 0.38
CA6 P23280 2/20 0.38
CA7 P43166 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
CISD1 Q9NZ45 1/20 0.38
CA4 P22748 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
YAP1 P46937 1/20 0.37

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
SCHEMBL2775872 0.88 PTGES2 (0.46) PTGES2IRAK4CA1CA2CA12
SCHEMBL2775908 0.77 PTGES2 (0.49) PTGES2CA1CA2CA12CA9
SCHEMBL2775760 0.77 PTGES2 (0.47) PTGES2CA1CA2CA12CA9
SCHEMBL2775945 0.77 PTGES2 (0.49) PTGES2CA1CA2CA12CA9
SCHEMBL2775314 0.77 PTGES2 (0.41) PTGES2IRAK4CA1CA2CA12
SCHEMBL7920895 0.76 IRAK4 (0.43) IRAK4GPR6
SCHEMBL8250121 0.76 KDM4E (0.53) IRAK4
SCHEMBL2774803 0.73 HCAR3 (0.56) CA1CA2CA12CA9CA3
SCHEMBL2777807 0.73 PTGES2 (0.43) PTGES2CA1CA2CA12CA9
SCHEMBL2774310 0.73 CA2 (0.49) PTGES2CA1CA2CA12CA9

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
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 PTGES2 750/4885IRAK4 1033/4885CA1 3557/4885

“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.