SCHEMBL2775322

SCHEMBL2775322

Cc1ccc(F)c(S(N)(=O)=O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 9/20 0.42
PTGS2 P35354 9/20 0.42
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA12 O43570 3/20 0.41
CA7 P43166 3/20 0.41
CA13 Q8N1Q1 3/20 0.41
PTGES2 Q9H7Z7 4/20 0.39
CA9 Q16790 2/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
SOS1 Q07889 2/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL2776346 0.84 CA2 (0.46) PTGS1PTGS2CA1CA2CA12
SCHEMBL1522482 0.78 CA1 (0.42) PTGS1PTGS2CA1CA2CA12
SCHEMBL2777012 0.73 PTGS1 (0.42) PTGS1PTGS2CA1CA2CA12
SCHEMBL5798575 0.72 CXCR2 (0.38) PTGS1PTGS2CA1CA2CA12
SCHEMBL13006836 0.72 ACHE (0.44) CA1CA2CA12CA7CA13
SCHEMBL2937321 0.72 CA1 (0.48) PTGS1PTGS2CA1CA2CA12
SCHEMBL21808336 0.71 CA12 (0.48) PTGS1PTGS2CA1CA2CA12
SCHEMBL31000067 0.70 CA1 (0.62) PTGS1PTGS2CA1CA2CA12
SCHEMBL2776177 0.70 CA1 (0.62) PTGS1PTGS2CA1CA2CA12
SCHEMBL3091342 0.69 CA2 (0.45) CA1CA2CA12CA7CA13

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 PTGS1 791/4885PTGS2 852/4885CA1 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.