SCHEMBL3469824

SCHEMBL3469824

CC(C)(C(N)=O)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.56
PRSS1 P07477 3/20 0.56
PRSS2 P07478 3/20 0.56
PRSS3 P35030 3/20 0.56
LARS1 Q9P2J5 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 4/20 0.49
RAPGEF3 O95398 1/20 0.48
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NLRP3 Q96P20 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
KAT6A Q92794 4/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL17943496 0.85 L3MBTL1 (0.58) F2PRSS1PRSS2PRSS3LARS1
SCHEMBL3093141 0.83 LARS1 (0.53) F2PRSS1PRSS2PRSS3LARS1
SCHEMBL3469570 0.83 LARS1 (0.56) F2PRSS1PRSS2PRSS3LARS1
Hydrochloric Acid SCHEMBL3085657 0.82 LARS1 (0.52) F2PRSS1PRSS2PRSS3LARS1
SCHEMBL3470158 0.81 LARS1 (0.51) F2PRSS1PRSS2PRSS3LARS1
SCHEMBL3267161 0.81 F2 (0.62) F2PRSS1PRSS2PRSS3LARS1
SCHEMBL7948519 0.80 L3MBTL1 (0.55) F2PRSS1PRSS2PRSS3LARS1
SCHEMBL3470357 0.78 LARS1 (0.48) F2PRSS1PRSS2PRSS3LARS1
SCHEMBL29317754 0.77 LARS1 (0.53) F2PRSS1PRSS2PRSS3LARS1
SCHEMBL29492938 0.77 L3MBTL1 (0.64) F2PRSS1PRSS2PRSS3LARS1

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 3 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
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP disclosed