SCHEMBL2249871

SCHEMBL2249871

Nc1nc2c(ncn2COCCCP(=O)(O)O)c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 10/20 1.00
PNP P00491 11/20 0.94
USP2 O75604 1/20 0.73
TSHR P16473 1/20 0.73
EDNRA P25101 1/20 0.73
HTR2A P28223 1/20 0.73
RECQL P46063 1/20 0.73
BLM P54132 1/20 0.73
HBB P68871 1/20 0.73
HSD17B10 Q99714 1/20 0.73
POLG P54098 1/20 0.69

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
SCHEMBL23859843 0.93 HPRT1 (1.00) HPRT1PNPUSP2TSHREDNRA
SCHEMBL13805623 0.91 HPRT1 (0.84) HPRT1PNPUSP2TSHREDNRA
SCHEMBL9621638 0.88 HPRT1 (0.78) HPRT1PNPUSP2TSHREDNRA
SCHEMBL8896276 0.88 HPRT1 (0.81) HPRT1PNPUSP2TSHREDNRA
Acyclovir SCHEMBL145606 0.87 PNP (0.91) HPRT1PNPUSP2TSHREDNRA
Acyclovir SCHEMBL543440 0.87 PNP (0.91) HPRT1PNPUSP2TSHREDNRA
Acyclovir SCHEMBL23440044 0.87 PNP (0.91) HPRT1PNPUSP2TSHREDNRA
Acyclovir SCHEMBL145614 0.87 PNP (0.91) HPRT1PNPUSP2TSHREDNRA
Acyclovir SCHEMBL8388395 0.87 PNP (0.84) HPRT1PNPUSP2TSHREDNRA
SCHEMBL8898386 0.87 HPRT1 (0.80) HPRT1PNPUSP2TSHREDNRA

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2012799-B1 METABOLICALLY STABLE ALKOXYALKYL ESTERS OF ANTIVIRAL OR ANTIPROLIFERATIVE PHOSPHONATES, NUCLEOSIDE PHOSPHONATES AND NUCLEOSIDE PHOSPHATES CHIMERIX INC (US) 2016-08-24 EP disclosed
US-8710030-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-04-29 US disclosed
US-20130045950-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-21 US disclosed
US-8193167-B2 Pharmacologically active agents containing esterified phosphonates and methods for use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-05 US disclosed
US-8008308-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-08-30 US disclosed
US-7994143-B2 Metabolically stable alkoxyalkyl esters of antiviral or antiproliferative phosphonates, nucleoside phosphonates and nucleoside phosphates CHIMERIX, INC. (US) 2011-08-09 US disclosed
US-20100273742-A1 Pharmacologically Active Agents Containing Esterified Phosphonates and Methods for Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-28 US disclosed
US-20100249056-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates CHIMERIX, INC. (US) 2010-09-30 US disclosed
US-7790703-B2 New phosphonate ester derivatives of purine or pyrimidine antivirals; side effect reduction, less toxic, bioavailability THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-09-07 US disclosed
US-20100173870-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-07-08 US disclosed
US-5047533-A Viricides SRI INTERNATIONAL (US) 1991-09-10 US disclosed
EP-0309491-A1 ANTIVIRAL AGENTS SRI INTERNATIONAL (US) 1989-04-05 EP disclosed
EP-0145739-B1 NOVEL ANTIVIRAL AGENTS SRI INTERNATIONAL (US) 1989-02-08 EP disclosed
WO-1988005438-A1 ANTIVIRAL AGENTS SRI INTERNATIONAL (US) 1988-07-28 WO disclosed
EP-0274025-A2 Novel antiviral agents SRI INTERNATIONAL (US) 1988-07-13 EP disclosed
EP-0273169-A2 Novel antiviral agents SRI INTERNATIONAL (US) 1988-07-06 EP disclosed
US-4755516-A Antiviral compounds MERCK & CO., INC. (US) 1988-07-05 US disclosed
EP-0272446-A1 Novel antiviral agents SRI INTERNATIONAL (US) 1988-06-29 EP disclosed
EP-0173624-A2 4-(guanin-9-yl) butanals and antiviral compositions containing them MERCK & CO. INC. (US) 1986-03-05 EP disclosed
WO-1984004748-A2 NOVEL ANTIVIRAL AGENTS 1984-12-06 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 (4 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-20130045950-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA HPRT1 130/4885PNP 74/4885USP2 4514/4885
US-20100249056-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates PNP, TYMP, ENPP1 HPRT1 183/4885PNP 1/4885USP2 4216/4885
US-20100273742-A1 Pharmacologically Active Agents Containing Esterified Phosphonates and Methods for Use Thereof PHPT1, PPIP5K2, PHOSPHO1 HPRT1 881/4885PNP 30/4885USP2 3419/4885
US-20100173870-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA HPRT1 130/4885PNP 74/4885USP2 4514/4885

“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.