Valine

Valine

SCHEMBL4498576

C=CC(=O)Cl.CC(C)[C@H](N)C(=O)O

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.65
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
GRIK1 P39086 3/20 0.34
GRIK2 Q13002 3/20 0.34
GRM1 Q13255 1/20 0.34
GRM2 Q14416 1/20 0.34
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32

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
Valine SCHEMBL6360907 0.86 SLC7A5 (0.71) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Valine SCHEMBL9603102 0.84 SLC7A5 (0.68) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Valine SCHEMBL22558018 0.84 SLC7A5 (0.68) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Valine SCHEMBL30284821 0.84 SLC7A5 (0.68) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Valine SCHEMBL4012840 0.84 SLC7A5 (0.68) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Valine SCHEMBL9672476 0.84 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Alanine SCHEMBL28374791 0.84 SLC7A5 (0.40) SLC7A5GRIK1GRIK2GRM1GRM2
Valine SCHEMBL9088823 0.84 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Valine SCHEMBL547430 0.84 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Valine SCHEMBL4261471 0.84 SLC7A5 (0.83) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides ATP CAPITAL LP 2006-05-04 US disclosed
WO-2005115148-A1 3-ARYL-3-HYDROXY-2-METHYLENEPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-08 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 (1 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-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 SLC7A5 2144/4885SLC1A3 355/4885SLC1A2 410/4885

“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.