SCHEMBL18512681

SCHEMBL18512681

CC(=O)OC[C@H]1[C@@H](OC(C)=O)[C@H](n2nnc3c(=O)[nH]c(N)nc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ TGM2 P21980 1/20 0.42
▸ KRAS P01116 2/20 0.42
▸ FUT5 Q11128 1/20 0.42
▸ P2RY2 P41231 3/20 0.42
▸ P2RY4 P51582 2/20 0.42
▸ P2RY6 Q15077 1/20 0.42
▸ POLG P54098 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ PNP P00491 1/20 0.39
▸ DCPS Q96C86 1/20 0.39
▸ RNASEL Q05823 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ NT5E P21589 1/20 0.38
▸ FUT6 P51993 2/20 0.38
▸ POLB P06746 1/20 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
SCHEMBL18503455 0.94 ALDH1A1 (0.45) ALDH1A1TGM2KRASFUT5P2RY2
SCHEMBL17198375 0.87 ALDH1A1 (0.56) ALDH1A1TAS1R3TAS1R1PNPLMNA
SCHEMBL17198456 0.85 TGM2 (0.58) ALDH1A1TGM2KRASFUT5P2RY2
SCHEMBL18503430 0.83 TGM2 (0.49) TGM2KRASFUT5P2RY2P2RY4
SCHEMBL30619682 0.83 TGM2 (0.57) TGM2KRASFUT5P2RY2P2RY4
SCHEMBL6041234 0.82 TGM2 (0.58) TGM2KRASFUT5P2RY2P2RY4
SCHEMBL6041236 0.82 TGM2 (0.58) TGM2KRASFUT5P2RY2P2RY4
SCHEMBL18503529 0.81 TGM2 (0.58) TGM2KRASFUT5P2RY2P2RY4
SCHEMBL25720717 0.80 POLG (0.54) ALDH1A1TGM2KRASFUT5P2RY2
SCHEMBL18503426 0.79 ALDH1A1 (0.49) ALDH1A1PNPLMNATHRBSMN1; SMN2

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 2 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

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 ALDH1A1 1322/4885TGM2 3677/4885KRAS 106/4885
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV RB1, NSUN2, METTL3 ALDH1A1 1311/4885TGM2 3639/4885KRAS 110/4885

“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.

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