SCHEMBL11098950

SCHEMBL11098950

O=C1c2ccccc2S(=O)(=O)N1c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.77
CTSG P08311 1/20 0.77
CEL P19835 1/20 0.77
LMNA P02545 1/20 0.54
CA9 Q16790 12/20 0.51
CA2 P00918 6/20 0.51
CA12 O43570 14/20 0.48
CA1 P00915 3/20 0.48
HPGD P15428 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL7439955 0.87 ELANE (1.00) ELANECTSGCELLMNACA9
SCHEMBL11094946 0.78 CA12 (0.57) ELANECTSGCELLMNACA9
SCHEMBL6903338 0.77 HPGD (0.58) ELANECTSGCELLMNACA9
SCHEMBL30367636 0.77 HPGD (0.58) ELANECTSGCELLMNACA9
SCHEMBL11574405 0.76 LMNA (0.75) ELANECTSGCELLMNACA9
Hydrogen Sulfide SCHEMBL29165723 0.75 HPGD (0.57) ELANECTSGCELLMNACA9
SCHEMBL29165709 0.73 LMNA (0.51) ELANECTSGCELLMNACA9
SCHEMBL29386930 0.72 CA9 (0.60) ELANELMNACA9CA2CA12
SCHEMBL358829 0.72 CA9 (0.60) ELANELMNACA9CA2CA12
Saccharin Calcium SCHEMBL29394622 0.72 CA9 (0.60) ELANECTSGCELLMNACA9

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
US-4276298-A 2-Aryl-1,2-benzisothiazolinone-1,1-dioxides and their use as selective protease inhibitors MERCK & CO., INC. (US) 1981-06-30 US claimed
EP-0026791-B1 2-ARYL-1,2-BENZISOTHIAZOLINONE-1,1-DIOXIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1984-05-02 EP disclosed
US-4369183-A 2-Pyridyl-1,2-benzisothiazolinone-1,1-dioxides and their use as selective protease inhibitors MERCK & CO., INC. (US) 1983-01-18 US disclosed
US-4276298-A 2-Aryl-1,2-benzisothiazolinone-1,1-dioxides and their use as selective protease inhibitors MERCK & CO., INC. (US) 1981-06-30 US disclosed
EP-0026791-A1 2-Aryl-1,2-benzisothiazolinone-1,1-dioxides and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1981-04-15 EP disclosed