SCHEMBL4956090

SCHEMBL4956090

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
SLC7A5 Q01650 2/20 0.36
GRIK1 P39086 2/20 0.35
KDM4E B2RXH2 1/20 0.34
KCNH2 Q12809 1/20 0.34
SLC1A1 P43005 5/20 0.33
SLC7A11 Q9UPY5 1/20 0.33
SLC1A2 P43004 4/20 0.32
SLC1A3 P43003 3/20 0.32
USP2 O75604 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
KIF11 P52732 1/20 0.32
GRIK2 Q13002 1/20 0.31

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
SCHEMBL4851556 1.00 PTGS1 (0.52) PTGS1ALDH1A1MAPTSLC7A5GRIK1
Lactic Acid SCHEMBL27555157 0.91 TP53 (0.46) PTGS1ALDH1A1MAPTSLC7A5GRIK1
Guanidine SCHEMBL27516721 0.91 PTGS1 (0.45) PTGS1ALDH1A1MAPTSLC7A5GRIK1
SCHEMBL27555263 0.89 PTGS1 (0.43) PTGS1ALDH1A1MAPTSLC7A5GRIK1
SCHEMBL27512274 0.88 ALDH1A1 (0.42) PTGS1ALDH1A1MAPTGRIK1SLC1A1
Hydrochloric Acid SCHEMBL27555158 0.88 ALDH1A1 (0.42) PTGS1ALDH1A1MAPTSLC7A5GRIK1
Deaminohydroxyvaline SCHEMBL28208973 0.86 PTGS1 (0.41) PTGS1ALDH1A1MAPTSLC7A5KDM4E
SCHEMBL27887465 0.86 ALDH1A1 (0.41) PTGS1ALDH1A1MAPTGRIK1SLC1A1
SCHEMBL27497065 0.86 PTGS1 (0.41) PTGS1ALDH1A1MAPTKCNH2SLC1A1
SCHEMBL27857920 0.84 PTGS1 (0.39) PTGS1ALDH1A1MAPTSLC7A5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323448-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2008-01-29 US disclosed
US-7148198-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2006-12-12 US disclosed
US-20060276409-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2006-12-07 US disclosed
US-20050014702-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-01-20 US disclosed
US-6787522-B2 BACTERIAL POLYPEPTIDE DEFORMYLASE (PDF) INHIBITORS, N-FORMYL HYDROXYLAMINE DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS (GB) 2004-09-07 US disclosed
EP-1052984-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2004-05-12 EP disclosed
US-20020165167-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-11-07 US disclosed
US-6423690-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-07-23 US disclosed
CN-1298299-A Antibacterial agent BRITISH BIOTECH PHARM (GB) 2001-06-06 CN disclosed
EP-1052984-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-11-22 EP disclosed
WO-1999039704-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-08-12 WO disclosed
EP-0292729-B1 PROCESS FOR SOLID PHASE PEPTIDE SYNTHESIS BACHEM AG (CH) 1992-04-22 EP disclosed
EP-0292729-A2 Process for solid phase peptide synthesis BACHEM AG (CH) 1988-11-30 EP disclosed
US-4451456-A Antitumor antibacterial agents BRISTOL-MYERS COMPANY (US) 1984-05-29 US 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 (3 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-20060276409-A1 Antibacterial agents CBR3, CBR1, SIGMAR1 PTGS1 3458/4885ALDH1A1 1353/4885MAPT 4693/4885
US-20050014702-A1 Antibacterial agents CBR3, CBR1, SIGMAR1 PTGS1 3458/4885ALDH1A1 1353/4885MAPT 4693/4885
US-20020165167-A1 Antibacterial agents CBR1, CBR3, SIGMAR1 PTGS1 2211/4885ALDH1A1 629/4885MAPT 4784/4885

“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.