SCHEMBL13367286

SCHEMBL13367286

C=CC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.63
ALPI P09923 1/20 0.63
PKM P14618 1/20 0.63
PTGS1 P23219 1/20 0.63
XIAP P98170 1/20 0.63
SLC15A1 P46059 2/20 0.54
LTA4H P09960 1/20 0.51
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
HDAC8 Q9BY41 2/20 0.49
CYP1A2 P05177 1/20 0.47
EPHX1 P07099 2/20 0.47
CTSC P53634 1/20 0.46
LAP3 P28838 3/20 0.46
ANPEP P15144 1/20 0.46
SRR Q9GZT4 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
SCHEMBL11499279 1.00 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL18286579 0.84 SLC7A5 (0.62) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL31501285 0.84 SLC7A5 (0.79) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL28268747 0.84 SLC7A5 (0.79) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9295400 0.83 SLC7A5 (0.66) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL28345408 0.83 SLC7A5 (0.66) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL19193059 0.83 SLC7A5 (0.66) SLC7A5ALPIPKMPTGS1XIAP
D-Phenylalanine SCHEMBL30582493 0.82 SLC7A5 (0.76) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1692013 0.81 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL623613 0.80 ALPI (0.49) SLC7A5ALPIPKMPTGS1XIAP

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
WO-2017042162-A1 PLANTS WITH REDUCED ASPARAGINE CONTENT PHILIP MORRIS PRODUCTS S.A. (CH) 2017-03-16 WO disclosed
US-20100125069-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds RIGEL PHARMACEUTICALS INC. (US) 2010-05-20 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-20100125069-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TYMS, TPMT SLC7A5 1506/4885ALPI 1680/4885PKM 2577/4885

“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.