SCHEMBL4996803

SCHEMBL4996803

NCCCN[C@@H](CS)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 3/20 0.47
GGT1 P19440 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
PTGS2 P35354 1/20 0.44
THPO P40225 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACE P12821 1/20 0.40
RNPEP Q9H4A4 1/20 0.39
FOLH1 Q04609 2/20 0.39
PTGS1 P23219 1/20 0.37
SLC7A11 Q9UPY5 1/20 0.37
GSR P00390 1/20 0.36
ESR1 P03372 1/20 0.35
CA1 P00915 1/20 0.34

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
SCHEMBL5965362 1.00 CPB2 (0.47) CPB2GGT1KDM4EMAPTTHRB
SCHEMBL94249 0.88 GGT1 (0.56) CPB2GGT1KDM4EMAPTTHRB
SCHEMBL307700 0.88 GGT1 (0.56) CPB2GGT1KDM4EMAPTTHRB
SCHEMBL619940 0.88 GGT1 (0.56) CPB2GGT1KDM4EMAPTTHRB
Hydrochloric Acid SCHEMBL1574244 0.86 GGT1 (0.55) CPB2GGT1KDM4EMAPTTHRB
SCHEMBL900182 0.83 KDM4E (0.54) GGT1KDM4EMAPTTHRBALOX15
SCHEMBL900178 0.83 KDM4E (0.54) GGT1KDM4EMAPTTHRBALOX15
SCHEMBL17378062 0.83 KDM4E (0.54) GGT1KDM4EMAPTTHRBALOX15
SCHEMBL146727 0.82 GGT1 (0.55) CPB2GGT1RNPEPFOLH1GSR
SCHEMBL6890284 0.82 GGT1 (0.55) CPB2GGT1RNPEPFOLH1GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452704-B2 Dehydrogenase and a gene encoding the same MITSUBISHI CHEMICAL CORPORATION (JP) 2008-11-18 US disclosed
US-7115735-B2 Dehydrogenase and a gene encoding the same MITSUBISHI CHEMICAL CORPORATION (JP) 2006-10-03 US disclosed
US-20060205045-A1 Which produces N-alkyl-L-alanine from pyruvic acid and alkylamine or dialkylamine using NADPH and/or NADH as coenzyme; biosynthesis MITSUBISHI CHEMICAL CORPORATION (JP) 2006-09-14 US disclosed
US-20050124040-A1 Novel dehydrogenase and a gene encoding the same MITSUBISHI CHEMICAL CORPORATION (JP) 2005-06-09 US disclosed
US-5952307-A Basic α-aminoalkylphosphonate derivatives GEORGIA TECH RESEARCH CORP. (US) 1999-09-14 US disclosed
US-5686419-A SERINE PROTEASE INHIBITOR ANTICOAGULANTS GEORGIA TECH RESEARCH CORP. (US) 1997-11-11 US disclosed
EP-0804252-A2 MONOAMINE, DIAMIDE, THIOL-CONTAINING METAL CHELATING AGENTS DIATECH, INC. (US) 1997-11-05 EP disclosed
US-5543396-A Proline phosphonate derivatives GEORGIA TECH RESEARCH CORP. (US) 1996-08-06 US disclosed
WO-1995033497-A1 MONOAMINE, DIAMIDE, THIOL-CONTAINING METAL CHELATING AGENTS DIATECH, INC. (US) 1995-12-14 WO disclosed
WO-1995029691-A1 PROLINE PHOSPHONATE DERIVATIVES GEORGIA TECH RESEARCH CORPORATION (US) 1995-11-09 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-20060205045-A1 Which produces N-alkyl-L-alanine from pyruvic acid and alkylamine or dialkylamine using NADPH and/or NADH as coenzyme; biosynthesis ME1, NADK, ME3 CPB2 1632/4885GGT1 506/4885KDM4E 1504/4885
US-20050124040-A1 Novel dehydrogenase and a gene encoding the same ALDH7A1, MDH2, DPYD CPB2 1823/4885GGT1 548/4885KDM4E 1339/4885

“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.