SCHEMBL2102135

SCHEMBL2102135

CC(C)CCS(=N)(=O)CC[C@H](N)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMP22 Q01453 2/20 0.63
SLC1A3 P43003 3/20 0.47
SLC1A2 P43004 3/20 0.47
SLC1A1 P43005 2/20 0.47
SLC7A5 Q01650 1/20 0.47
GCLC P48506 1/20 0.46
GSR P00390 2/20 0.44
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
CYP1A2 P05177 1/20 0.42
GRIK1 P39086 1/20 0.42
GRM5 P41594 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42

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
SCHEMBL9163433 0.87 PMP22 (0.61) PMP22SLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL13746032 0.85 PMP22 (0.63) PMP22SLC1A3SLC1A2SLC1A1GCLC
SCHEMBL5904143 0.85 PMP22 (0.63) PMP22SLC1A3SLC1A2SLC1A1GCLC
SCHEMBL840666 0.84 PMP22 (0.68) PMP22SLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL13745292 0.84 PMP22 (0.68) PMP22SLC1A3SLC1A2SLC1A1SLC7A5
Buthionine Sulfoxime SCHEMBL62034 0.81 PMP22 (0.59) PMP22SLC1A3SLC1A2SLC1A1GCLC
SCHEMBL9162392 0.81 PMP22 (0.59) PMP22SLC1A3SLC1A2SLC1A1SLC7A5
Buthionine Sulfoxime SCHEMBL115963 0.81 PMP22 (0.59) PMP22SLC1A3SLC1A2SLC1A1GCLC
Buthionine Sulfoxime SCHEMBL121171 0.81 PMP22 (0.59) PMP22SLC1A3SLC1A2SLC1A1GCLC
Buthionine Sulfoxime SCHEMBL4449935 0.81 PMP22 (0.59) PMP22SLC1A3SLC1A2SLC1A1GCLC

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
US-5476966-A S-substituted homocysteine sulfoximines CORNELL RESEARCH FOUNDATION, INC. (US) 1995-12-19 US claimed
WO-1989009205-A1 METHODS FOR DEPLETION OF GLUTATHIONE CORNELL RESEARCH FOUNDATION, INC. (US) 1989-10-05 WO claimed
US-8163796-B1 Treatment of cancer by oxidation-reduction potentiation of cancerostatic dicarbonyls BioChemical Solutions, LLC (US) 2012-04-24 US disclosed
US-5695751-A ADMINISTERING L-AMINO ACID OXIDASE TO REDUCE PLASMA LEVEL OF LARGE AMINO ACIDS TO ALLOW INCREASED TRANSPORT OF LARGE AMINO ACID DRUGS ACROSS BLOOD BRAIN BARRIER CORNELL RESEARCH FOUNDATION, INC. (US) 1997-12-09 US disclosed
US-5476966-A S-substituted homocysteine sulfoximines CORNELL RESEARCH FOUNDATION, INC. (US) 1995-12-19 US disclosed
WO-1989009205-A1 METHODS FOR DEPLETION OF GLUTATHIONE CORNELL RESEARCH FOUNDATION, INC. (US) 1989-10-05 WO disclosed