SCHEMBL19953835

SCHEMBL19953835

CC1(C)O[C@@H]2[C@H](O1)[C@H](n1ccc(=O)[nH]c1=O)O[C@@H]2CN=[N+]=[N-]

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC28A1 O00337 1/20 0.44
SLC28A2 O43868 1/20 0.44
SLC29A1 Q99808 1/20 0.44
SLC28A3 Q9HAS3 1/20 0.44
P2RY2 P41231 12/20 0.42
P2RY4 P51582 5/20 0.41
P2RY6 Q15077 7/20 0.40
P2RY14 Q15391 1/20 0.39
P2RY12 Q9H244 1/20 0.39

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
SCHEMBL13435073 1.00 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL14473415 1.00 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL13461596 1.00 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL15828290 0.83 SLC28A1 (0.50) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL13401313 0.83 SLC28A1 (0.50) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL13599521 0.82 TK1 (0.48)
SCHEMBL24780347 0.82 SLC28A1 (0.62) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL22236624 0.82 SLC28A1 (0.62) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL21055679 0.82 SLC28A1 (0.62) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL22236658 0.82 SLC28A1 (0.49) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2

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-10717758-B2 D-amino acid compounds for liver disease IDENIX PHARMACEUTICALS LLC (US) 2020-07-21 US disclosed
US-9914924-B2 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2018-03-13 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-10717758-B2 D-amino acid compounds for liver disease AADAT, BCAT1, BCAT2 SLC28A1 93/4885SLC28A2 97/4885SLC29A1 50/4885

“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.