Valine

Valine

SCHEMBL576798

CC(C)C[C@@H]1CNC(=O)C1.CC(C)[C@H](N)C(=O)O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.43
MME P08473 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
LNPEP Q9UIQ6 1/20 0.32
FEN1 P39748 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
Valine SCHEMBL21061182 0.84 SLC7A5 (0.42) SLC7A5IRAK4FEN1
SCHEMBL522950 0.83 TSHR (0.37) IRAK4
SCHEMBL21587611 0.83 TSHR (0.37) IRAK4
SCHEMBL268203 0.83 TSHR (0.37) IRAK4
SCHEMBL6923351 0.73 TSHR (0.35) IRAK4
SCHEMBL3117336 0.70 TSHR (0.33) IRAK4
SCHEMBL8319395 0.70 SMN1; SMN2 (0.34) IRAK4
SCHEMBL523099 0.70 SMN1; SMN2 (0.34) IRAK4
SCHEMBL23718975 0.70 IRAK4 (0.33) IRAK4FEN1
SCHEMBL3123114 0.68 PDE4A (0.39) IRAK4

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-8212072-B2 Process for the preparation of pregabalin Divi's Laboratories, Ltd. (IN) 2012-07-03 US disclosed
US-20120041212-A1 PROCESS FOR THE PREPARATION OF PREGABALIN DIVI'S LABORATORIES LIMITED (IN) 2012-02-16 US disclosed
EP-2418194-A1 Process for the preparation of pregabalin Divi's Laboratories Limited (IN) 2012-02-15 EP 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-20120041212-A1 PROCESS FOR THE PREPARATION OF PREGABALIN GABRA5, GABRA6, GABRE SLC7A5 1136/4885MME 2975/4885IRAK4 3819/4885

“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.