Valine

Valine

SCHEMBL4726209

CC(C)[C@H](N)C(=O)O.NCc1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.56
SLC1A1 P43005 6/20 0.53
SLC1A3 P43003 4/20 0.53
SLC1A2 P43004 4/20 0.53
LOXL2 Q9Y4K0 1/20 0.52
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 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
SLC6A2 P23975 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48

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 SCHEMBL27680015 1.00 SLC7A5 (0.56) SLC7A5SLC1A1SLC1A3SLC1A2LOXL2
Valine SCHEMBL15657599 0.93 SLC7A5 (0.52) SLC7A5SLC1A1SLC1A3SLC1A2LOXL2
Diphenylmethane SCHEMBL2494259 0.87 SLC7A5 (0.58) SLC7A5SLC1A1SLC1A3SLC1A2CYP1A2
Benzylamine SCHEMBL15657392 0.86 LOXL2 (0.58) SLC7A5SLC1A1SLC1A3SLC1A2LOXL2
Valine SCHEMBL4716541 0.85 SLC7A5 (0.56) SLC7A5SLC1A1SLC1A3SLC1A2CYP1A2
Phenylacetic Acid SCHEMBL8902802 0.84 AKR1B1 (0.61) SLC7A5SLC1A1SLC1A3SLC1A2CYP1A2
Valine SCHEMBL11201581 0.84 SLC7A5 (0.54) SLC7A5SLC1A1SLC1A3SLC1A2CYP1A2
Benzyl Bromide SCHEMBL8876464 0.84 SLC7A5 (0.54) SLC7A5SLC1A1SLC1A3SLC1A2CYP1A2
Phenylalanine SCHEMBL531086 0.82 SLC7A5 (0.76) SLC7A5SLC1A1SLC1A3SLC1A2ALPI
Phenylalanine SCHEMBL8595582 0.82 SLC7A5 (0.76) SLC7A5SLC1A1SLC1A3SLC1A2ALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009534-A1 SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
WO-2008006044-A2 SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed
EP-0874863-A1 3-DEOXY-3-DESCLADINOSE DERIVATIVES OF ERYTHROMYCINS A AND B ABBOTT LABORATORIES (US) 1998-11-04 EP disclosed
WO-1997017357-A1 3-DEOXY-3-DESCLADINOSE DERIVATIVES OF ERYTHROMYCINS A AND B ABBOTT LABORATORIES (US) 1997-05-15 WO disclosed
CN-1110502-A Herbicidal compounds SHELL INT RESEARCH (NL) 1995-10-25 CN disclosed
CN-1029959-C Process for preparing herbicidal compounds SHELL INT RESEARCH (NL) 1995-10-11 CN disclosed
EP-0467473-B1 Herbicidal compounds SHELL INT RESEARCH (NL) 1994-10-05 EP disclosed
US-5304532-A For preemergence or postemergence use SHELL RESEARCH LIMITED 1994-04-19 US disclosed
CN-1060090-A HERBICIDAL COMPOUNDS SHELL INT RESEARCH (NL) 1992-04-08 CN disclosed
EP-0467473-A1 Herbicidal compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-01-22 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-20080009534-A1 SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD GPR119, LIPC, CEL SLC7A5 925/4885SLC1A1 2065/4885SLC1A3 1661/4885

“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.