SCHEMBL17198436

SCHEMBL17198436

CC(=O)OC[C@]1(C)[C@@H](C2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.39
CA1 P00915 5/20 0.39
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36

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
SCHEMBL17198608 0.82 CA2 (0.37) CA2CA1CA9CA12CA4
SCHEMBL18503493 0.79 CA1 (0.37) CA2CA1CA9CA12CA4
SCHEMBL17198607 0.77 CA1 (0.31) CA2CA1
SCHEMBL15025272 0.75 CA1 (0.34) CA2CA1CA9
SCHEMBL15025154 0.75 CA1 (0.34) CA2CA1CA9
SCHEMBL8905408 0.74 CA2 (0.40) CA2CA1CA9CA12CA4
SCHEMBL7438361 0.74 CA2 (0.40) CA2CA1CA9CA12CA4
SCHEMBL7432541 0.74 CA2 (0.40) CA2CA1CA9CA12CA4
SCHEMBL23902747 0.73 CA2 (0.39) CA2CA1CA9
SCHEMBL12408763 0.73 CA2 (0.39) CA2CA1CA9

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-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV IDENIX PHARMACEUTICALS LLC (US) 2019-02-12 US disclosed
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2017-02-16 US disclosed
WO-2015161137-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. (US) 2015-10-22 WO 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-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV RB1, NSUN2, METTL3 CA2 3346/4885CA1 4837/4885CA9 4064/4885
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV RB1, NSUN2, METTL3 CA2 3435/4885CA1 4843/4885CA9 4082/4885

“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.