SCHEMBL3218852

SCHEMBL3218852

O=CCOC[C@@H]1O[C@H](n2c(C=O)cc(=O)[nH]c2=O)C(O)C1O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 11/20 0.45
UMPS P11172 3/20 0.39
P2RY6 Q15077 9/20 0.39
P2RY4 P51582 4/20 0.39
SLC28A1 O00337 1/20 0.38
SLC28A2 O43868 1/20 0.38
SLC29A1 Q99808 1/20 0.38
SLC28A3 Q9HAS3 1/20 0.38
P2RY14 Q15391 1/20 0.38

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
SCHEMBL3212380 0.87 P2RY2 (0.47) P2RY2UMPSP2RY6P2RY4SLC28A1
SCHEMBL3218065 0.87 P2RY2 (0.45) P2RY2UMPSP2RY6P2RY4SLC28A1
SCHEMBL3211527 0.85 P2RY2 (0.43) P2RY2UMPSP2RY6P2RY4SLC28A1
SCHEMBL3221053 0.83 SLC28A1 (0.54) P2RY2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL3221041 0.83 SLC28A1 (0.54) P2RY2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL13423829 0.83 SLC28A1 (0.54) P2RY2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL13455784 0.83 SLC28A1 (0.54) P2RY2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL3218829 0.83 P2RY2 (0.46) P2RY2UMPSP2RY6P2RY4SLC28A1
SCHEMBL12144307 0.83 P2RY2 (0.58) P2RY2UMPSP2RY6P2RY4P2RY14
SCHEMBL3220723 0.83 P2RY2 (0.58) P2RY2UMPSP2RY6P2RY4P2RY14

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-20100056468-A1 Pyrimidine Derivatives As Anticancer Agents UNIVERSITY HEALTH NETWORK (CA) 2010-03-04 US claimed
US-20100056468-A1 Pyrimidine Derivatives As Anticancer Agents UNIVERSITY HEALTH NETWORK (CA) 2010-03-04 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-20100056468-A1 Pyrimidine Derivatives As Anticancer Agents DPYD, TYMP, TYMS P2RY2 1891/4885UMPS 17/4885P2RY6 1137/4885

“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.