SCHEMBL2775760

SCHEMBL2775760

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 12/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
YAP1 P46937 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA3 P07451 2/20 0.40
CA6 P23280 2/20 0.40
CA7 P43166 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
CISD1 Q9NZ45 1/20 0.40
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TP53 P04637 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL2776613 0.87 PTGES2 (0.43) PTGES2L3MBTL1YAP1KDM4EALDH1A1
SCHEMBL2775314 0.81 PTGES2 (0.41) PTGES2YAP1CA1CA2CA3
SCHEMBL2775908 0.81 PTGES2 (0.49) PTGES2CA1CA2CA3CA6
SCHEMBL2775945 0.81 PTGES2 (0.49) PTGES2YAP1KDM4EALDH1A1CA1
SCHEMBL2775623 0.80 YAP1 (0.45) PTGES2L3MBTL1YAP1ALDH1A1CA1
SCHEMBL2774803 0.77 HCAR3 (0.56) YAP1KDM4EALDH1A1SMN1; SMN2CA1
SCHEMBL2777807 0.77 PTGES2 (0.43) PTGES2CA1CA2CA12CA9
SCHEMBL2774310 0.77 CA2 (0.49) PTGES2YAP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2778741 0.77 PTGES2 (0.46) PTGES2YAP1CA1CA2CA3
SCHEMBL2775756 0.77 YAP1 (0.54) L3MBTL1YAP1KDM4EALDH1A1SMN1; SMN2

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 750/4885L3MBTL1 4737/4885YAP1 4645/4885

“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.