Valine

Valine

SCHEMBL2339837

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

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.88
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
TP53 P04637 1/20 0.40
DPP4 P27487 1/20 0.38
FAP Q12884 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
LAP3 P28838 1/20 0.38
USP2 O75604 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
GABRP O00591 4/20 0.35
GABRD O14764 4/20 0.35
GABRA1 P14867 4/20 0.35
GABRB1 P18505 4/20 0.35
GABRG2 P18507 4/20 0.35
GABRB3 P28472 4/20 0.35
GABRA5 P31644 4/20 0.35

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 SCHEMBL30540418 0.94
Valine SCHEMBL29523401 0.94
Valine SCHEMBL41225 0.94 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL43678 0.94
Valine SCHEMBL8515 0.94
Valine SCHEMBL31618928 0.94
Valine SCHEMBL2785563 0.94 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL288203 0.94 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL8516 0.94
Valine SCHEMBL1813972 0.94 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257111-A1 Hydroxyethlamino Sulfonamide Derivatives CONCERT PHARMACEUTICALS, INC. 2011-10-20 US disclosed
EP-2358198-A1 HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2011-08-24 EP disclosed
WO-2010047819-A1 HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2010-04-29 WO disclosed
WO-1996004366-A1 NON-SULFATO-REDUCING STRICT ANAEROBIC THERMOPHILIC AND HYPERTHERMOPHILIC BACTERIA CULTURE METHOD INSTITUT FRANCAIS DE RECHERCHE SCIENTIFIQUE POUR LE DEVELOPPEMENT EN COOPERATION (O.R.S.T.O.M.) (FR) 1996-02-15 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-20110257111-A1 Hydroxyethlamino Sulfonamide Derivatives HTRA1, PRSS8, PRSS1 SLC7A5 1893/4885SLC1A3 1939/4885SLC1A2 2500/4885

“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.