SCHEMBL10072468

SCHEMBL10072468

[2H]C(C)[C@@]12CO[C@@H]([C@H](n3ccc(=O)[nH]c3=O)O1)[C@@H]2C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 6/20 0.39
SLC28A1 O00337 1/20 0.39
SLC28A2 O43868 1/20 0.39
SLC29A1 Q99808 1/20 0.39
SLC28A3 Q9HAS3 1/20 0.39
P2RY2 P41231 8/20 0.35
P2RY4 P51582 2/20 0.34
P2RY12 Q9H244 1/20 0.33
P2RY14 Q15391 1/20 0.33

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
SCHEMBL14929243 0.91 P2RY6 (0.40) P2RY6SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL14511255 0.91 P2RY6 (0.40) P2RY6SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL14946318 0.91 P2RY6 (0.40) P2RY6SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL14702151 0.91 P2RY6 (0.40) P2RY6SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL12408868 0.89 SLC28A1 (0.44) P2RY6SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL12408859 0.89 SLC28A1 (0.44) P2RY6SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL14946340 0.87 SLC28A1 (0.44) P2RY6SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL14929370 0.87 SLC28A1 (0.44) P2RY6SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL14702138 0.81 SLC28A1 (0.45) P2RY6SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL21562945 0.81 SLC28A1 (0.45) P2RY6SLC28A1SLC28A2SLC29A1SLC28A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130041144-A1 5'-SUBSTITUTED BICYCLIC NUCLEOSIDES AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 2013-02-14 US disclosed
US-8268980-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20120010393-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2012-01-12 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 (2 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-20130041144-A1 5'-SUBSTITUTED BICYCLIC NUCLEOSIDES AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM RNMT, HNRNPM, NOP2 P2RY6 2768/4885SLC28A1 846/4885SLC28A2 562/4885
US-20120010393-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR P2RY6 3224/4885SLC28A1 356/4885SLC28A2 336/4885

“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.