SCHEMBL5143583

SCHEMBL5143583

CC(C)CC(C(=O)O)C(=O)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.44
SLC7A5 Q01650 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CPA1 P15085 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
MME P08473 3/20 0.41
FOLH1 Q04609 2/20 0.40
CACNA2D1 P54289 2/20 0.39
CACNB3 P54284 1/20 0.39
CACNA1C Q13936 1/20 0.39
PGR P06401 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
CACNA2D2 Q9NY47 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL1200181 0.79 RNPEP (0.57) RNPEPSLC7A5ALDH1A1CPA1MEN1
SCHEMBL28652007 0.79 MME (0.33) RNPEPSLC7A5ALDH1A1MMEFOLH1
SCHEMBL29571242 0.76 RNPEP (0.44) RNPEPSLC7A5ALDH1A1CPA1MEN1
SCHEMBL31502287 0.76 RNPEP (0.39) RNPEPSLC7A5ALDH1A1CPA1MEN1
SCHEMBL7684983 0.75 LDHA (0.40) ALDH1A1CPA1MEN1KMT2AMME
SCHEMBL7585174 0.74 CA1 (0.44) RNPEPSLC7A5ALDH1A1CPA1MEN1
SCHEMBL9638836 0.74 RNPEP (0.60) RNPEPSLC7A5ALDH1A1CPA1MEN1
SCHEMBL9819868 0.74 SLC7A5 (0.60) RNPEPSLC7A5ALDH1A1CACNA2D1CACNB3
SCHEMBL10536292 0.74 SLC7A5 (0.60) RNPEPSLC7A5ALDH1A1CACNA2D1CACNB3
Hydroxyamine SCHEMBL20817080 0.74 SLC7A5 (0.59) RNPEPSLC7A5ALDH1A1CPA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301031-B2 Methods for producing hydroxy amino acids, esters, and derivatives thereof BIOCATALYTICS, INC. (US) 2007-11-27 US disclosed
US-7081535-B2 Hydroxy-amino acids BIOCATALYTICS, INC. (US) 2006-07-25 US disclosed
US-20050192439-A1 Methods for producing hydroxy amino acids, esters, and derivatives thereof CODEXIS, INC. 2005-09-01 US disclosed
US-20050100993-A1 Methods for producing hydroxy amino acids and derivatives thereof BIOCATALYTICS, INC. 2005-05-12 US disclosed
US-6833471-B2 Contacting beta-ketodiester having ketone and two esters with a ketoreductase under conditions permitting reduction of ketone to alcohol, regioselectively hydrolyzing one of ester groups to acid, converting acid or ester to amine BIOCATALYTICS, INC. 2004-12-21 US disclosed
US-20040053377-A1 Methods for producing hydroxy amino acids and derivatives thereof CODEXIS, INC. 2004-03-18 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-20040053377-A1 Methods for producing hydroxy amino acids and derivatives thereof HMGCR, HSD17B12, BCKDK RNPEP 141/4885SLC7A5 347/4885ALDH1A1 514/4885
US-20050100993-A1 Methods for producing hydroxy amino acids and derivatives thereof ALDH7A1, BCKDK, HSD17B12 RNPEP 319/4885SLC7A5 344/4885ALDH1A1 130/4885
US-20050192439-A1 Methods for producing hydroxy amino acids, esters, and derivatives thereof ALDH7A1, BCKDK, ADH5 RNPEP 355/4885SLC7A5 461/4885ALDH1A1 135/4885

“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.