SCHEMBL3096901

SCHEMBL3096901

NS(=O)(=O)CC(c1ccc(F)cc1)S(N)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
SOS1 Q07889 1/20 0.36
MAOA P21397 1/20 0.36
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
AOC3 Q16853 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA12 O43570 2/20 0.34
CA7 P43166 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL31150400 0.82 CA1 (0.39) IDO1TDO2SOS1GABBR2GABBR1
SCHEMBL4226373 0.79 CA2 (0.45) CA1CA2CA9CA12CA7
SCHEMBL3085702 0.79 ALDH1A1 (0.39) MAOACA1CA2CA9CA12
SCHEMBL18246813 0.76 AOC3 (0.50) IDO1TDO2GABBR2GABBR1AOC3
SCHEMBL4769301 0.71 APLNR (0.41) IDO1TDO2SOS1AOC3PTGS1
SCHEMBL3882934 0.71 ALDH1A1 (0.33) IDO1TDO2GABBR2GABBR1CA1
SCHEMBL3888508 0.69 CA1 (0.37) IDO1TDO2AOC3CA1CA2
SCHEMBL3099891 0.67 CFTR (0.43) CA1CA2CA9CA12
SCHEMBL19716764 0.67 FFAR1 (0.38) GABBR2GABBR1
SCHEMBL20491243 0.67 GBA1 (0.38) IDO1TDO2MAOAAOC3EPHX2

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-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 IDO1 3312/4885TDO2 3770/4885SOS1 1581/4885

“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.