SCHEMBL18503447

SCHEMBL18503447

CC[C@]1(C)[C@@H](CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC28A1 O00337 1/20 0.46
SLC28A2 O43868 1/20 0.46
SLC29A1 Q99808 1/20 0.46
SLC28A3 Q9HAS3 1/20 0.46
TDP1 Q9NUW8 1/20 0.39
P2RY14 Q15391 5/20 0.38
P2RY2 P41231 5/20 0.38
P2RY4 P51582 2/20 0.38
NT5E P21589 1/20 0.38
P2RY6 Q15077 4/20 0.37
ENTPD2 Q9Y5L3 1/20 0.37

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
SCHEMBL17198350 0.90 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3TDP1
SCHEMBL18503451 0.82 P2RY2 (0.56) P2RY2P2RY4P2RY6
SCHEMBL18503499 0.81 NT5E (0.42) TDP1P2RY14P2RY2P2RY4NT5E
SCHEMBL18503494 0.81 NT5E (0.42) TDP1P2RY14P2RY2P2RY4NT5E
SCHEMBL29323315 0.81 SLC28A1 (0.41) SLC28A1SLC28A2SLC29A1SLC28A3TDP1
SCHEMBL12408824 0.78 SLC28A1 (0.41) SLC28A1SLC28A2SLC29A1SLC28A3TDP1
SCHEMBL21490243 0.76 SLC28A1 (0.51) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
SCHEMBL19987163 0.76 SLC28A1 (0.51) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
SCHEMBL19987242 0.76 SLC28A1 (0.51) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
SCHEMBL31201425 0.74 SLC28A1 (0.42) SLC28A1SLC28A2SLC29A1SLC28A3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2017-02-16 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-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV RB1, NSUN2, METTL3 SLC28A1 82/4885SLC28A2 32/4885SLC29A1 165/4885

“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.