SCHEMBL3097730

SCHEMBL3097730

CC(C)Cc1ccc(S(N)(=O)=O)c(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.41
CA9 Q16790 5/20 0.41
CA1 P00915 5/20 0.41
PTGES2 Q9H7Z7 2/20 0.41
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
SCN9A Q15858 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38

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
SCHEMBL6776216 0.82 EDNRA (0.53) CA2CA9CA1PTGES2CA12
Benzene SCHEMBL28202934 0.81 CSNK2A1 (0.51) CA2CA9CA1PTGES2CA12
SCHEMBL30970210 0.78 EDNRA (0.50) EDNRBEDNRA
SCHEMBL27886321 0.77 CA12 (0.47) CA9CA12EDNRBEDNRA
SCHEMBL27886326 0.77 CA2 (0.40) CA2CA9CA1CA12CA4
SCHEMBL8492139 0.76 BACE1 (0.58) GABRA1GABRB2
SCHEMBL3528765 0.76 AGTR2 (0.62)
SCHEMBL29958677 0.75 AGTR2 (0.47) CA2CA9CA1CA12
SCHEMBL8597605 0.74 HDAC7 (0.45) CA2CA9CA1CA12
SCHEMBL29588197 0.74 HDAC7 (0.45) CA2CA9CA1CA12

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 6 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
CN-102816126-A Sulfamoyl-aryl-substituted triazole derivatives with cardiovascular activity, preparation method thereof, and application thereof UNIV CHINA PHARMA 2012-12-12 CN 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 CA2 71/4885CA9 152/4885CA1 1013/4885

“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.