SCHEMBL6135754

SCHEMBL6135754

O=C(O)CN(CCN(CC(=O)O)C(Cc1ccc(N=C=S)cc1)C(=O)O)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
P2RY6 Q15077 1/20 0.38
OPRD1 P41143 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
EYA2 O00167 1/20 0.33
APP P05067 1/20 0.33
ACE P12821 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL7506238 0.96 HSD17B10 (0.40) HSD17B10P2RY6OPRD1TDP1EYA2
SCHEMBL9429585 0.86 HSD17B10 (0.39) HSD17B10P2RY6OPRD1TDP1EYA2
SCHEMBL6757638 0.83 HSD17B10 (0.39) HSD17B10P2RY6OPRD1TDP1EYA2
SCHEMBL6550277 0.83 HSD17B10 (0.39) HSD17B10P2RY6OPRD1TDP1EYA2
SCHEMBL141450 0.83 HSD17B10 (0.39) HSD17B10P2RY6OPRD1TDP1EYA2
Isothiocyanate SCHEMBL28348502 0.81 CYP1A2 (0.37) TDP1EYA2APPACEKDM4E
SCHEMBL7598191 0.81 SLC7A5 (0.44) TDP1EYA2APPACEKDM4E
SCHEMBL7596061 0.81 CYP1A2 (0.43) TDP1EYA2APPACEKDM4E
SCHEMBL29588115 0.81 CYP1A2 (0.43) TDP1EYA2APPACEKDM4E
SCHEMBL8193027 0.81 HSD17B10 (0.41) HSD17B10P2RY6OPRD1TDP1EYA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455025-B1 POLYSACCHARIDE-SOMATOSTATIN ANALOGS; SOMATOSTATIN IS DIRECTLY OR INDIRECTLY COUPLED FROM A TERMINAL N-AMINO GROUP OF THE SOMATOSTATIN ANALOG TO A POLYSACCHARIDE; EFFECTIVE NEGATIVE CHARGE; DIAGNOSING AND TREATING CANCERS; RADIOLABELED MAP MEDICAL TECHNOLOGIES OY (FI) 2002-09-24 US claimed
EP-0951478-A1 POLYSACCHARIDE-PEPTIDE DERIVATIVES Map Medical Technologies Oy (FI) 1999-10-27 EP claimed
WO-1998028336-A1 POLYSACCHARIDE-PEPTIDE DERIVATIVES MAP MEDICAL TECHNOLOGIES OY (FI) 1998-07-02 WO claimed
EP-1592476-A1 METHODS FOR THE PURIFICATION OF STABLE RADIOIODINE CONJUGATES Immunomedics, Inc. (US) 2005-11-09 EP disclosed
WO-2004071571-A1 METHODS FOR THE PURIFICATION OF STABLE RADIOIODINE CONJUGATES IMMUNOMEDICS, INC. (US) 2004-08-26 WO disclosed
US-6455025-B1 POLYSACCHARIDE-SOMATOSTATIN ANALOGS; SOMATOSTATIN IS DIRECTLY OR INDIRECTLY COUPLED FROM A TERMINAL N-AMINO GROUP OF THE SOMATOSTATIN ANALOG TO A POLYSACCHARIDE; EFFECTIVE NEGATIVE CHARGE; DIAGNOSING AND TREATING CANCERS; RADIOLABELED MAP MEDICAL TECHNOLOGIES OY (FI) 2002-09-24 US disclosed
EP-0835263-B9 SOMATOSTATIN PEPTIDES NOVARTIS AG (CH) 2002-07-24 EP disclosed
EP-0835263-B1 SOMATOSTATIN PEPTIDES NOVARTIS AG (CH) 2001-12-05 EP disclosed
US-6225284-B1 Somatostatin peptides NOVARTIS AG (CH) 2001-05-01 US disclosed
US-5776894-A Chelated somatostatin peptides and complexes thereof, pharmaceutical compositions containing them and their use in treating tumors NOVARTIS AG (CH) 1998-07-07 US disclosed
US-5753627-A Use of certain complexed somatostatin peptides for the invivo imaging of somatostatin receptor-positive tumors and metastasis NOVARTIS AG (CH) 1998-05-19 US disclosed
EP-0835263-A2 SOMATOSTATIN PEPTIDES Novartis AG (CH) 1998-04-15 EP disclosed
WO-1997001579-A2 SOMATOSTATIN PEPTIDES NOVARTIS AG (CH) 1997-01-16 WO disclosed
EP-0741747-A1 INHIBITORS OF SERINE PROTEASES, BEARING A CHELATING GROUP Novartis AG (CH) 1996-11-13 EP disclosed
WO-1995020603-A1 INHIBITORS OF SERINE PROTEASES, BEARING A CHELATING GROUP SANDOZ LTD. (CH) 1995-08-03 WO disclosed
US-5334729-A Derivatives of 1,2-diaminocyclohexanetetraacetic acid ASSOCIATED UNIVERSITIES, INC. (US) 1994-08-02 US disclosed
WO-1990006949-A2 PEPTIDE DERIVATIVES SANDOZ AG (CH) 1990-06-28 WO disclosed