Valine

Valine

SCHEMBL19810136

CC(C)[C@H](N)C(=O)O.Nc1cc(=O)[nH]c(=O)[nH]1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
LMNA P02545 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.37
CA1 P00915 1/20 0.36
TSHR P16473 2/20 0.34
GRM1 Q13255 2/20 0.33
GRM5 P41594 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.32
NR1I2 O75469 1/20 0.32
PTGS1 P23219 1/20 0.32
ADRA1A P35348 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 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
Orotic Acid SCHEMBL3359468 0.83 LMNA (0.66) SLC7A5LMNAALDH1A1CYP1A2CA1
Orotic Acid SCHEMBL3359470 0.83 LMNA (0.66) SLC7A5LMNAALDH1A1CYP1A2CA1
Valine SCHEMBL3642426 0.74 CRBN (0.55) SLC7A5LMNAGRM1GRM5KDM4E
Valine SCHEMBL2790124 0.72
Valine SCHEMBL28052598 0.70 SLC7A5 (0.88) SLC7A5LMNACYP1A2MEN1KMT2A
Valine SCHEMBL2540234 0.70 SLC7A5 (0.88) SLC7A5LMNAALDH1A1ACHENR1I2
Valine SCHEMBL22471756 0.70 SLC7A5 (0.88) SLC7A5ALDH1A1PTGS1
Valine SCHEMBL4582565 0.70 SLC7A5 (0.88) SLC7A5LMNACYP1A2MEN1KMT2A
Valine SCHEMBL1813972 0.70 SLC7A5 (1.00) SLC7A5ALDH1A1PTGS1
Valine SCHEMBL8516 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028104-B2 Xanthine derivatives, their use as a medicament, and pharmaceutical preparations comprising the same Max-Delbrück-Centrum für Molekulare Medizin (DE) 2021-06-08 US disclosed
EP-3490996-B1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2020-08-26 EP disclosed
US-20200262847-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME Max-Delbrück-Centrum für Molekulare Medizin (DE) 2020-08-20 US disclosed
US-10683309-B2 Xanthine derivatives, their use as a medicament, and pharmaceutical preparations comprising the same Max-Delbrück-Centrum für Molekulare Medizin (DE) 2020-06-16 US disclosed
EP-3490996-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME Max-Delbrück-Centrum für Molekulare Medizin (DE) 2019-06-05 EP disclosed
US-20190161503-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME Max-Delbrück-Centrum für Molekulare Medizin (DE) 2019-05-30 US disclosed
WO-2018019917-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME Max-Delbrück-Centrum für Molekulare Medizin (DE) 2018-02-01 WO disclosed
EP-3275885-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME Max-Delbrück-Centrum für Molekulare Medizin (DE) 2018-01-31 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 (4 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-10683309-B2 Xanthine derivatives, their use as a medicament, and pharmaceutical preparations comprising the same TPH1, XDH, TPH2 SLC7A5 398/4885LMNA 3612/4885ALDH1A1 285/4885
US-20190161503-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME TPH1, XDH, TPH2 SLC7A5 398/4885LMNA 3612/4885ALDH1A1 285/4885
US-20200262847-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME TPH1, XDH, TPH2 SLC7A5 398/4885LMNA 3612/4885ALDH1A1 285/4885
US-11028104-B2 Xanthine derivatives, their use as a medicament, and pharmaceutical preparations comprising the same TPH1, XDH, TPH2 SLC7A5 398/4885LMNA 3612/4885ALDH1A1 285/4885

“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.