SCHEMBL18503429

SCHEMBL18503429

CC[C@H]1[C@@H](OC(C)=O)[C@H](n2cc(F)c(=O)[nH]c2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 13/20 0.51
P2RY2 P41231 11/20 0.51
P2RY4 P51582 6/20 0.49
P2RY14 Q15391 2/20 0.49
NT5E P21589 1/20 0.49
POLB P06746 1/20 0.45
POLA1 P09884 1/20 0.45
POLD1 P28340 1/20 0.45

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
SCHEMBL17198444 0.93 P2RY6 (0.53) P2RY6P2RY2P2RY4P2RY14NT5E
SCHEMBL18503431 0.91 POLB (0.55) P2RY6P2RY2P2RY4POLBPOLA1
SCHEMBL18503414 0.85 P2RY2 (0.65) P2RY6P2RY2P2RY4P2RY14
SCHEMBL18512680 0.84 POLB (0.55) P2RY6P2RY2P2RY4POLBPOLA1
SCHEMBL18503446 0.83 LMNA (0.47) P2RY6P2RY14NT5E
SCHEMBL148675 0.81 P2RY6 (0.73) P2RY6P2RY2P2RY4P2RY14NT5E
SCHEMBL148676 0.81 P2RY6 (0.73) P2RY6P2RY2P2RY4P2RY14NT5E
SCHEMBL26883024 0.80 DNPH1 (0.62) P2RY6P2RY2P2RY4
SCHEMBL26883176 0.80 DNPH1 (0.62) P2RY6P2RY2P2RY4
SCHEMBL31381451 0.80 DNPH1 (0.62) P2RY6P2RY2P2RY4

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 P2RY6 821/4885P2RY2 390/4885P2RY4 820/4885

“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.