SCHEMBL3082545

SCHEMBL3082545

CCCCCCCCCCCCCCCCSCC(N)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.57
GMNN O75496 1/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
CYP2C9 P11712 1/20 0.53
BLM P54132 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ARG1 P05089 1/20 0.53
ARG2 P78540 1/20 0.53
NOS1 P29475 2/20 0.51
NOS3 P29474 1/20 0.51
GRIK1 P39086 2/20 0.50
GRIK2 Q13002 2/20 0.50
BHMT Q93088 2/20 0.49
CES2 O00748 3/20 0.48
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
SLC1A3 P43003 1/20 0.44

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
SCHEMBL29941026 1.00 NOS2 (0.57) NOS2GMNNTP53POLBMAPT
SCHEMBL10801469 1.00 NOS2 (0.57) NOS2GMNNTP53POLBMAPT
SCHEMBL10073278 1.00 NOS2 (0.57) NOS2GMNNTP53POLBMAPT
SCHEMBL11572914 1.00 NOS2 (0.57) NOS2GMNNTP53POLBMAPT
SCHEMBL3082543 1.00 NOS2 (0.57) NOS2GMNNTP53POLBMAPT
SCHEMBL11572921 1.00 NOS2 (0.57) NOS2GMNNTP53POLBMAPT
SCHEMBL8612866 1.00 NOS2 (0.57) NOS2GMNNTP53POLBMAPT
SCHEMBL9544550 1.00 NOS2 (0.57) NOS2GMNNTP53POLBMAPT
SCHEMBL20553470 1.00 NOS2 (0.57) NOS2GMNNTP53POLBMAPT
SCHEMBL9028544 1.00 NOS2 (0.57) NOS2GMNNTP53POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217145-B2 Genetically programmed expression of proteins containing the unnatural amino acid phenylselenocysteine THE SCRIPS RESEARCH INSTITUTE (US) 2012-07-10 US claimed
US-20090209000-A1 Genetically Programmed Expression of Proteins THE SCRIPPS RESEARCH INSTITUTE 2009-08-20 US claimed
EP-1994165-A2 GENETICALLY PROGRAMMED EXPRESSION OF PROTEINS CONTAINING THE UNNATURAL AMINO ACID PHENYLSELENOCYSTEINE The Scripps Research Institute (US) 2008-11-26 EP claimed
US-20070238152-A1 Genetically programmed expression of proteins containing the unnatural amino acid phenylselenocysteine THE SCRIPPS RESEARCH INSTITUTE (US) 2007-10-11 US claimed
WO-2007109035-A2 GENETICALLY PROGRAMMED EXPRESSION OF PROTEINS CONTAINING THE UNNATURAL AMINO ACID PHENYLSELENOCYSTEINE THE SCRIPPS RESEARCH INSTITUTE (US) 2007-09-27 WO claimed
EP-1994165-B1 Genetically programmed expression of proteins containing the unnatural amino acid phenylselenocysteine SCRIPPS RESEARCH INST (US) 2014-11-05 EP disclosed
US-8394605-B2 Genetically programmed expression of proteins containing the unnatural amino acid phenylselenocysteine THE SCRIPPS RESEARCH INSTITUTE (US) 2013-03-12 US disclosed
US-20120282668-A1 Genetically Programmed Expression of Proteins Containing the Unnatural Amino Acid Phenylselenocysteine THE SCRIPPS RESEARCH INSTITUTE (US) 2012-11-08 US disclosed
US-8217145-B2 Genetically programmed expression of proteins containing the unnatural amino acid phenylselenocysteine THE SCRIPS RESEARCH INSTITUTE (US) 2012-07-10 US disclosed
US-7790847-B2 Genetically programmed expression of proteins containing the unnatural amino acid phenylselenocysteine THE SCRIPPS RESEARCH INSTITUTE (US) 2010-09-07 US disclosed
CN-101795702-A Oligopeptide tyrosinase inhibitor and application thereof UNIV LELAND STANFORD JUNIOR 2010-08-04 CN disclosed
CN-101795703-A peptide tyrosinase inhibitors and uses thereof UNIV LELAND STANFORD JUNIOR 2010-08-04 CN disclosed
US-20090209000-A1 Genetically Programmed Expression of Proteins THE SCRIPPS RESEARCH INSTITUTE 2009-08-20 US disclosed
EP-1994165-A2 GENETICALLY PROGRAMMED EXPRESSION OF PROTEINS CONTAINING THE UNNATURAL AMINO ACID PHENYLSELENOCYSTEINE The Scripps Research Institute (US) 2008-11-26 EP disclosed
US-20070238152-A1 Genetically programmed expression of proteins containing the unnatural amino acid phenylselenocysteine THE SCRIPPS RESEARCH INSTITUTE (US) 2007-10-11 US disclosed
WO-2007109035-A2 GENETICALLY PROGRAMMED EXPRESSION OF PROTEINS CONTAINING THE UNNATURAL AMINO ACID PHENYLSELENOCYSTEINE THE SCRIPPS RESEARCH INSTITUTE (US) 2007-09-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070238152-A1 Genetically programmed expression of proteins containing the unnatural amino acid phenylselenocysteine NPEPPS, AARS1, NSUN3 NOS2 3226/4885GMNN 1189/4885TP53 3905/4885
US-20090209000-A1 Genetically Programmed Expression of Proteins AARS1, COASY, NPEPPS NOS2 3345/4885GMNN 1396/4885TP53 3931/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.