SCHEMBL2623808

SCHEMBL2623808

Cn1c(=O)c(I)cn([C@@H]2C[C@H](OC(=O)c3ccccc3)[C@H](COC(=O)c3ccccc3)O2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.50
POLB P06746 3/20 0.47
UPP1 Q16831 1/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
GAPDH P04406 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PPM1B O75688 1/20 0.38
HTT P42858 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA5 P30532 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 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
SCHEMBL12352466 1.00 RNASE1 (0.50) RNASE1POLBUPP1NPC1MEN1
SCHEMBL12352467 0.90 RNASE1 (0.58) RNASE1POLBUPP1NPC1MEN1
SCHEMBL2623806 0.90 RNASE1 (0.58) RNASE1POLBUPP1NPC1MEN1
SCHEMBL30976632 0.83 POLB (0.52) RNASE1POLBUPP1NPC1MEN1
SCHEMBL7653783 0.82 RNASE1 (0.65) RNASE1POLBUPP1MEN1USP2
SCHEMBL13273272 0.82 RNASE1 (0.65) RNASE1POLBUPP1MEN1USP2
SCHEMBL2623807 0.82 RNASE1 (0.65) RNASE1POLBUPP1MEN1USP2
SCHEMBL2632480 0.82 RNASE1 (0.65) RNASE1POLBUPP1MEN1USP2
SCHEMBL6842685 0.82 RNASE1 (0.65) RNASE1POLBUPP1MEN1USP2
SCHEMBL14263441 0.79 RNASE1 (0.56) RNASE1POLBUPP1NPC1MEN1

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-9290533-B2 β-L-2′-deoxy-nucleosides for the treatment of hepatitis B NOVARTIS AG (CH) 2016-03-22 US disclosed
US-20120264707-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B IDENIX PHARMACEUTICALS, INC. (US) 2012-10-18 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-20110257120-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B IDENIX PHARMACEUTICALS, INC. (US) 2011-10-20 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-7795238-B2 β-L-2′-deoxy-nucleosides for the treatment of hepatitis B IDENIX PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
US-7589079-B2 Crystalline and amorphous forms of beta-L-2′-deoxythymidine NOVARTIS AG (CH) 2009-09-15 US disclosed
US-20080188440-A1 Beta-L-2'-Deoxy-Nucleosides for the Treatment of Hepatitis B IDENIX PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-20080015350-A1 Crystalline and amorphous forms of beta-L-2'-deoxythymidine NOVARTIS AG (CH) 2008-01-17 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 (5 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-20110257120-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B PNP, DUT, ATIC RNASE1 473/4885POLB 65/4885UPP1 72/4885
US-20110172178-A1 BETA-L-2' DEOXYNUCLEOSIDES FOR THE TREATMENT OF RESISTANT HBV STRAINS AND COMBINATION THERAPIES SLC28A2, SLC29A2, PNP RNASE1 1059/4885POLB 66/4885UPP1 198/4885
US-20080015350-A1 Crystalline and amorphous forms of beta-L-2'-deoxythymidine TYMP, PYGL, TTR RNASE1 41/4885POLB 235/4885UPP1 38/4885
US-20080188440-A1 Beta-L-2'-Deoxy-Nucleosides for the Treatment of Hepatitis B PNP, DUT, ATIC RNASE1 473/4885POLB 65/4885UPP1 72/4885
US-20120264707-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B PNP, DUT, ATIC RNASE1 473/4885POLB 65/4885UPP1 72/4885

“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.