SCHEMBL18503514

SCHEMBL18503514

CC[C@H]1[C@@H](F)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.42
P2RY2 P41231 8/20 0.40
P2RY14 Q15391 5/20 0.39
P2RY6 Q15077 6/20 0.39
P2RY12 Q9H244 3/20 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
P2RY4 P51582 2/20 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
SCHEMBL18503508 0.90 DUT (0.43) DUTP2RY2P2RY14P2RY6P2RY12
SCHEMBL18503510 0.89 SLC28A1 (0.47) P2RY2P2RY14P2RY6SLC28A1SLC28A2
SCHEMBL18503515 0.89 SLC28A1 (0.47) P2RY2P2RY14P2RY6SLC28A1SLC28A2
SCHEMBL17198402 0.89 DUT (0.39) DUTP2RY2P2RY14P2RY6P2RY12
SCHEMBL18503491 0.87 TDP1 (0.41) DUTP2RY2P2RY14P2RY6P2RY12
SCHEMBL18488843 0.85 SLC28A1 (0.53) P2RY2P2RY14P2RY6SLC28A1SLC28A2
SCHEMBL17198588 0.85 SLC28A1 (0.53) P2RY2P2RY14P2RY6SLC28A1SLC28A2
SCHEMBL17198399 0.85 SLC28A1 (0.53) P2RY2P2RY14P2RY6SLC28A1SLC28A2
SCHEMBL4953569 0.83 P2RY1 (0.42) DUTP2RY2P2RY14P2RY6P2RY12
SCHEMBL5636071 0.83 DUT (0.42) DUTP2RY2P2RY14P2RY6P2RY12

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 DUT 208/4885P2RY2 390/4885P2RY14 868/4885

“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.