SCHEMBL2776294

SCHEMBL2776294

NS(=O)(=O)c1cccc(C(F)(F)F)c1NC1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.41
PTGES2 Q9H7Z7 3/20 0.40
SCN9A Q15858 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
SLC22A12 Q96S37 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL2778937 0.80 PTGES2 (0.44) PTGES2CA2CA12CA1CA6
SCHEMBL2779295 0.77 LMNA (0.49) PTGES2MEN1KMT2ACA2CA12
SCHEMBL2775846 0.77 PTGES2 (0.43) PTGES2CA2CA12CA1CA9
SCHEMBL16852114 0.76 CYP1A2 (0.39) CNR2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL2420847 0.74 PNMT (0.43) CNR2PTGES2SCN9AMEN1KMT2A
SCHEMBL29418255 0.71 MEN1 (0.56) PTGES2MEN1KMT2ACA2CA12
SCHEMBL302570 0.71 MEN1 (0.56) PTGES2MEN1KMT2ACA2CA12
SCHEMBL2778845 0.71 CA1 (0.37) CNR2PTGES2KMT2ACA2CA12
SCHEMBL11685314 0.71 CA2 (0.50) PTGES2MEN1KMT2ACA2CA12
SCHEMBL2777793 0.71 CA2 (0.47) PTGES2MEN1KMT2ACA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CNR2 32/4885PTGES2 750/4885SCN9A 1811/4885

“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.