SCHEMBL2623786

SCHEMBL2623786

CC(C)[C@H](N)C(=O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)CC1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
P2RY2 P41231 3/20 0.49
P2RY4 P51582 3/20 0.49
P2RY6 Q15077 2/20 0.49
LMNA P02545 3/20 0.45
PDE3A Q14432 3/20 0.45
CACNA1F O60840 2/20 0.45
ALB P02768 2/20 0.45
MAPT P10636 2/20 0.45
CACNA1D Q01668 2/20 0.45
CACNA1S Q13698 2/20 0.45
CACNA1C Q13936 2/20 0.45
POLG P54098 1/20 0.43
ADRB1 P08588 1/20 0.43
DNMT1 P26358 1/20 0.43
THRB P10828 1/20 0.42
MTOR P42345 1/20 0.42
MDM2 Q00987 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42

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
SCHEMBL12352459 1.00 POLB (0.58) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL13169192 1.00 POLB (0.58) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL4450475 0.91 POLB (0.48) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL4450483 0.91 POLB (0.48) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL1763156 0.91 POLB (0.61) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL16790089 0.90 POLB (0.47) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL16790092 0.89 POLB (0.47) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL12721603 0.89 POLB (0.46) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL3684936 0.89 LMNA (0.48) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL29711392 0.89 POLB (0.46) POLBP2RY2P2RY4P2RY6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158606-B2 β-L-2′-deoxynucleosides for the treatment of resistant HBV strains and combination therapies NOVARTIS, AG (CH) 2012-04-17 US disclosed
US-8158606-B2 β-L-2′-deoxynucleosides for the treatment of resistant HBV strains and combination therapies NOVARTIS, AG (CH) 2012-04-17 US disclosed
US-20110172178-A1 BETA-L-2' DEOXYNUCLEOSIDES FOR THE TREATMENT OF RESISTANT HBV STRAINS AND COMBINATION THERAPIES NOVARTIS AG (CH) 2011-07-14 US disclosed
US-20110172178-A1 BETA-L-2' DEOXYNUCLEOSIDES FOR THE TREATMENT OF RESISTANT HBV STRAINS AND COMBINATION THERAPIES NOVARTIS AG (CH) 2011-07-14 US disclosed
US-7928086-B2 Administering a beta -L-2'-deoxynucleoside or its pharmaceutically acceptable salt, ester or prodrug therapy of a host infected with a drug-resistant form of HBV that exhibits a mutation at the 552 codon from methionine to valine in the DNA polymerase region NOVARTIS AG (CH) 2011-04-19 US disclosed
US-7928086-B2 Administering a beta -L-2'-deoxynucleoside or its pharmaceutically acceptable salt, ester or prodrug therapy of a host infected with a drug-resistant form of HBV that exhibits a mutation at the 552 codon from methionine to valine in the DNA polymerase region NOVARTIS AG (CH) 2011-04-19 US disclosed
US-20080182814-A1 Beta-L-2'-deoxynucleosides for the treatment of resistant HBV strains and combination therapies IDENIX PHARMACEUTICALS INC. 2008-07-31 US disclosed
US-20080182814-A1 Beta-L-2'-deoxynucleosides for the treatment of resistant HBV strains and combination therapies IDENIX PHARMACEUTICALS INC. 2008-07-31 US disclosed
US-7186700-B2 β-L-2′-deoxynucleosides for the treatment of resistant HBV strains and combination therapies IDENIX PHARMACEUTICALS, INC. (US) 2007-03-06 US disclosed
US-7186700-B2 β-L-2′-deoxynucleosides for the treatment of resistant HBV strains and combination therapies IDENIX PHARMACEUTICALS, INC. (US) 2007-03-06 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-20110172178-A1 BETA-L-2' DEOXYNUCLEOSIDES FOR THE TREATMENT OF RESISTANT HBV STRAINS AND COMBINATION THERAPIES SLC28A2, SLC29A2, PNP POLB 66/4885P2RY2 606/4885P2RY4 1578/4885
US-20080182814-A1 Beta-L-2'-deoxynucleosides for the treatment of resistant HBV strains and combination therapies SLC28A2, SLC28A1, SLC29A2 POLB 71/4885P2RY2 800/4885P2RY4 1700/4885

“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.