Valine

Valine

SCHEMBL4716541

CC(C)[C@H](N)C(=O)O.OCc1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.56
SLC1A3 P43003 5/20 0.53
SLC1A2 P43004 5/20 0.53
SLC1A1 P43005 5/20 0.53
TSHR P16473 1/20 0.52
CYP1A2 P05177 2/20 0.49
MEN1 O00255 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC15A1 P46059 1/20 0.48
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
KIF11 P52732 2/20 0.44
TRPA1 O75762 1/20 0.44

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
Diphenylmethane SCHEMBL2494259 0.87 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2SLC1A1CYP1A2
Benzyl Alcohol SCHEMBL18953109 0.86 TSHR (0.58) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
Valine SCHEMBL27680015 0.85 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
Valine SCHEMBL4726209 0.85 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
Valine SCHEMBL11201581 0.84 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
Phenylacetic Acid SCHEMBL8902802 0.84 AKR1B1 (0.61) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
Benzyl Bromide SCHEMBL8876464 0.84 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
Benzyl Alcohol SCHEMBL15655796 0.83 TSHR (0.54) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
Hydrocinnamyl Alcohol SCHEMBL28329674 0.83 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1CYP1A2
Phenylalanine SCHEMBL531086 0.82 SLC7A5 (0.76) SLC7A5SLC1A3SLC1A2SLC1A1ALPI

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
EP-1615904-B1 SUBSTITUTED BENZOSULPHONAMIDES AS POTENTIATORS OF GLUTAMATE RECEPTORS ASTRAZENECA AB (SE) 2008-02-27 EP disclosed
US-20070021606-A1 Therapeutic compounds ASTRAZENECA AB (SE) 2007-01-25 US disclosed
EP-1615904-A2 SUBSTITUTED BENZOSULPHONAMIDE AS POTENTIATORS OF GLUTAMATE RECEPTORS AstraZeneca AB (SE) 2006-01-18 EP disclosed
WO-2004092135-A2 SUBSTITUTED BENZOSULPHONAMIDE AS POTENTIATORS OF GLUTAMATE RECEPTORS ASTRAZENECA (SE) 2004-10-28 WO disclosed
US-5011927-A Preparation of 2-amino-4-fluoropyrimidine derivatives BASF AKTIENGESELLSCHAFT (DE) 1991-04-30 US disclosed
US-4267388-A BY SULFONATING A BENZYL ALCOHOL COMPOUND, REDUCING THE SULFONYL DERIVATIVE TO A HALOSTYRENYL COMPOUND, AND DEHYDROHALOGENATING TO THE ETHYNYLBENZENE WILLIAM H. RORER, INC. (US) 1981-05-12 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 (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-20070021606-A1 Therapeutic compounds GRIN1, GRIN3A, GRM2 SLC7A5 836/4885SLC1A3 54/4885SLC1A2 32/4885

“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.