SCHEMBL2734697

SCHEMBL2734697

CP(=O)(O)COCCn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.77
POLA1 P09884 1/20 0.74
POLG P54098 1/20 0.74
HPRT1 P00492 12/20 0.66
PNP P00491 6/20 0.61
USP2 O75604 1/20 0.60
TSHR P16473 1/20 0.60
EDNRA P25101 1/20 0.60
HTR2A P28223 1/20 0.60
RECQL P46063 1/20 0.60
BLM P54132 1/20 0.60
HBB P68871 1/20 0.60
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL2734888 0.91 POLB (0.73) POLBPOLA1POLGHPRT1PNP
Gs-438 SCHEMBL64567 0.91 POLB (0.80) POLBPOLA1POLGHPRT1PNP
SCHEMBL9055784 0.89 POLB (0.81) POLBPOLA1POLGHPRT1PNP
SCHEMBL24721833 0.89 POLB (0.74) POLBPOLA1POLGHPRT1PNP
SCHEMBL24721866 0.88 POLB (0.73) POLBPOLA1POLGHPRT1PNP
SCHEMBL8717524 0.87 POLB (0.81) POLBPOLA1POLGHPRT1PNP
Gs-438 SCHEMBL3497651 0.87 POLB (0.84) POLBPOLA1POLGHPRT1PNP
SCHEMBL9053987 0.86 POLB (0.76) POLBPOLA1POLGHPRT1PNP
SCHEMBL9054336 0.86 POLB (0.76) POLBPOLA1POLGHPRT1PNP
SCHEMBL17617679 0.86 POLB (0.76) POLBPOLA1POLGHPRT1PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180015095-A1 NUCLEOTIDE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-01-18 US disclosed
US-9801884-B2 Nucleotide analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-31 US disclosed
US-20170037068-A1 NUCLEOTIDE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-09 US disclosed
US-9493493-B2 Nucleotide analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-15 US disclosed
US-20160083407-A1 NUCLEOTIDE ANALOGS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2016-03-24 US disclosed
US-8268802-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-09-18 US disclosed
US-8088754-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
WO-2011011710-A1 METHODS OF TREATING VIRAL INFECTIONS CHIMERIX, INC. (US) 2011-01-27 WO disclosed
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-7553825-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2009-06-30 US disclosed
US-20090156545-A1 Substituted Phosphate Esters of Nucleoside Phosphonates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-06-18 US disclosed
US-20090156545-A1 Substituted Phosphate Esters of Nucleoside Phosphonates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-06-18 US disclosed
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-06-11 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 (6 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-20090156545-A1 Substituted Phosphate Esters of Nucleoside Phosphonates PNP, TYMP, ENPP1 POLB 204/4885POLA1 438/4885POLG 423/4885
US-20180015095-A1 NUCLEOTIDE ANALOGS NUDT1, DUT, DPYD POLB 29/4885POLA1 97/4885POLG 120/4885
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 POLB 82/4885POLA1 350/4885POLG 524/4885
US-20160083407-A1 NUCLEOTIDE ANALOGS NUDT1, DUT, DPYD POLB 29/4885POLA1 97/4885POLG 120/4885
US-20170037068-A1 NUCLEOTIDE ANALOGS NUDT1, DUT, DPYD POLB 29/4885POLA1 97/4885POLG 120/4885
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 POLB 82/4885POLA1 350/4885POLG 524/4885

“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.