SCHEMBL7478210

SCHEMBL7478210

CC(C)CCC(C(=O)O)N(C)S(N)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
GABRR1 P24046 2/20 0.32
BLM P54132 1/20 0.32
SLC7A5 Q01650 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL7329195 0.81 CA12 (0.37) SLC1A3SLC1A2SLC1A1
SCHEMBL28305733 0.76 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1GABRR1BLM
SCHEMBL7546686 0.71 SLC7A5 (0.33) GABRR1SLC7A5
SCHEMBL7546694 0.71 SLC7A5 (0.33) GABRR1SLC7A5
SCHEMBL19520956 0.67 ADAMTS4 (0.36) SLC7A5
SCHEMBL825142 0.65
SCHEMBL8653443 0.64 ALDH1A1 (0.32)
SCHEMBL21447936 0.63 AAK1 (0.39) SLC1A3SLC1A2SLC1A1BLM
SCHEMBL26212136 0.63 CA1 (0.36)
SCHEMBL27872491 0.63 SLC7A5 (0.45) SLC1A3SLC1A2SLC1A1SLC7A5PMP22

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-0801648-A4 SUBSTITUTED 2-ARYLCARBONYLOXYMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP INC (US) 1998-01-28 EP disclosed
EP-0801648-A1 SUBSTITUTED 2-ARYLCARBONYLOXYMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1997-10-22 EP disclosed
WO-1996016951-A1 SUBSTITUTED 2-ARYLCARBONYLOXYMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-06-06 WO disclosed