SCHEMBL17198375

SCHEMBL17198375

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ LMNA P02545 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ PNP P00491 1/20 0.42
▸ HINT1 P49773 3/20 0.39
▸ HPGD P15428 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ NT5E P21589 1/20 0.35

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
SCHEMBL18503426 0.92 ALDH1A1 (0.49) ALDH1A1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL18512681 0.87 ALDH1A1 (0.50) ALDH1A1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL17198339 0.83 HINT1 (0.56) ALDH1A1LMNAPNPHINT1HPGD
SCHEMBL18503455 0.81 ALDH1A1 (0.45) ALDH1A1PNPTAS1R3TAS1R1NT5E
SCHEMBL26534559 0.81 ALDH1A1 (0.51) ALDH1A1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL22883249 0.78 ALDH1A1 (0.49) ALDH1A1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL17198373 0.78 PNP (0.55) ALDH1A1LMNASMN1; SMN2PNPHPGD
SCHEMBL22704376 0.77 ALDH1A1 (0.52) ALDH1A1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL22883456 0.77 ALDH1A1 (0.52) ALDH1A1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL460189 0.75 PNP (0.67) ALDH1A1LMNASMN1; SMN2PNPHINT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 — — EP disclosed
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 ALDH1A1 1322/4885LMNA 1072/4885THRB 3672/4885
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV RB1, NSUN2, METTL3 ALDH1A1 1311/4885LMNA 1057/4885THRB 3656/4885

“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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