SCHEMBL5658566

SCHEMBL5658566

CC(=O)[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO.NC(=S)S

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4A P27815 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.34
NOS2 P35228 2/20 0.30

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
SCHEMBL20133522 0.89 USP2 (0.65) USP2SLCO1B1LMNAL3MBTL1PDE4A
SCHEMBL4330349 0.89 USP2 (0.65) USP2SLCO1B1LMNAL3MBTL1PDE4A
SCHEMBL107892 0.89 USP2 (0.65) USP2SLCO1B1LMNAL3MBTL1PDE4A
Mannitol SCHEMBL29235000 0.76 LMNA (0.61) USP2SLCO1B1LMNAL3MBTL1PDE4A
SCHEMBL1086009 0.74 USP2 (0.68) USP2SLCO1B1LMNAL3MBTL1PDE4A
SCHEMBL8720391 0.74 USP2 (0.68) USP2SLCO1B1LMNAL3MBTL1PDE4A
SCHEMBL11274631 0.74
SCHEMBL5658573 0.74 USP2 (0.35) USP2SLCO1B1
SCHEMBL149462 0.73 USP2 (0.61) USP2SLCO1B1LMNAL3MBTL1PDE4A
SCHEMBL21057 0.73 USP2 (0.61) USP2SLCO1B1LMNAL3MBTL1PDE4A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3525886-A1 COMPOSITIONS COMPRISING A METAL SOURCE, DITHIOCARBAMATE AND CYCLODEXTRIN Deutsches Krebsforschungszentrum, Stiftung des öffentlichen Rechts (DE) 2019-08-21 EP claimed
WO-2018069525-A1 COMPOSITIONS COMPRISING A METAL SOURCE, DITHIOCARBAMATE AND CYCLODEXTRIN Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2018-04-19 WO claimed
EP-3921647-A1 IMPROVED DITHIOCARMABATE BASED COMPOUNDS, THERAPIES AND DIAGNOSTICS Deutsches Krebsforschungszentrum - Stiftung des öffentlichen Rechts / Universität Heidelberg (DE) 2021-12-15 EP disclosed
WO-2020161337-A1 IMPROVED DITHIOCARMABATE BASED COMPOUNDS, THERAPIES AND DIAGNOSTICS Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2020-08-13 WO disclosed
EP-3525886-A1 COMPOSITIONS COMPRISING A METAL SOURCE, DITHIOCARBAMATE AND CYCLODEXTRIN Deutsches Krebsforschungszentrum, Stiftung des öffentlichen Rechts (DE) 2019-08-21 EP disclosed
WO-2018069525-A1 COMPOSITIONS COMPRISING A METAL SOURCE, DITHIOCARBAMATE AND CYCLODEXTRIN Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2018-04-19 WO disclosed
EP-1328267-A4 METHOD OF TREATING CANCER USING DITHIOCARBAMATE DERIVATIVES CHARLOTTE MECKLENBURG HOSPITAL (US) 2006-03-22 EP disclosed
EP-1328267-A2 METHOD OF TREATING CANCER USING DITHIOCARBAMATE DERIVATIVES Charlotte-Mecklenburg Hospital Authority doing business as Carolinas Medical Center (US) 2003-07-23 EP disclosed
WO-2002028349-A2 METHOD OF TREATING CANCER USING DITHIOCARBAMATE DERIVATIVES CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY, DOING BUSINESS AS CAROLINAS MEDICAL CENTER (US) 2002-04-11 WO disclosed