Valine

Valine

SCHEMBL2992340

CC(C)[C@H](N)C(=O)O.NNc1ccccc1C(=O)O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
FABP4 P15090 3/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
AKR1C3 P42330 3/20 0.43
AKR1B10 O60218 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
AKR1B1 P15121 2/20 0.43
PTGS2 P35354 2/20 0.43
AKR1C2 P52895 2/20 0.43
AKR1C1 Q04828 2/20 0.43
HIF1A Q16665 2/20 0.43
TRPA1 O75762 1/20 0.43
ABCB11 O95342 1/20 0.43
DHFR P00374 1/20 0.43
MPO P05164 1/20 0.43
CHRM1 P11229 1/20 0.43

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 SCHEMBL27633784 0.89 SLC7A5 (0.47) SLC7A5KMT2AMEN1AKR1C3AKR1B10
SCHEMBL143766 0.82 ALDH1A1 (0.59) FABP4KMT2AMEN1AKR1C3AKR1B10
Bromide SCHEMBL20984528 0.80 FABP4 (0.57) FABP4KMT2AMEN1AKR1C3AKR1B10
Hydrochloric Acid SCHEMBL27997789 0.80 FABP4 (0.57) FABP4KMT2AMEN1AKR1C3AKR1B10
Hydrochloric Acid SCHEMBL1522753 0.80 FABP4 (0.57) FABP4KMT2AMEN1AKR1C3AKR1B10
Toluic Acid SCHEMBL7708419 0.80 SLC7A5 (0.52) SLC7A5FABP4KMT2AMEN1AKR1C3
Anthranilic Acid SCHEMBL2255713 0.80 SLC7A5 (0.52) SLC7A5KMT2ATDP1ALDH1A1MAPT
Valine SCHEMBL8693536 0.80 SLC7A5 (0.52) SLC7A5KMT2AMEN1CYP1A2CYP2C9
Valine SCHEMBL7706957 0.80 SLC7A5 (0.56) SLC7A5KMT2AMEN1LMNACYP1A2
Acetic Acid SCHEMBL27992671 0.79 FABP4 (0.52) FABP4KMT2AMEN1AKR1C3AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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 (2 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 SLC7A5 4762/4885FABP4 2559/4885KMT2A 1226/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 SLC7A5 4762/4885FABP4 2559/4885KMT2A 1226/4885

“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.