SCHEMBL1577230

SCHEMBL1577230

C[C@@]1(O)[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.57
POLB P06746 1/20 0.56
IMPDH2 P12268 6/20 0.54
TAS1R3 Q7RTX0 2/20 0.54
TAS1R1 Q7RTX1 2/20 0.54
IMPDH1 P20839 2/20 0.54
TGM2 P21980 1/20 0.53
FUT5 Q11128 1/20 0.50
KRAS P01116 3/20 0.49
P2RY2 P41231 2/20 0.49
P2RY4 P51582 2/20 0.49
HINT1 P49773 1/20 0.49
ADORA2A P29274 1/20 0.48
P2RY6 Q15077 1/20 0.48

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
SCHEMBL12939473 1.00 NT5E (0.57) NT5EPOLBIMPDH2TAS1R3TAS1R1
SCHEMBL10819909 1.00 NT5E (0.57) NT5EPOLBIMPDH2TAS1R3TAS1R1
SCHEMBL12194800 1.00 NT5E (0.57) NT5EPOLBIMPDH2TAS1R3TAS1R1
SCHEMBL15468735 1.00 NT5E (0.57) NT5EPOLBIMPDH2TAS1R3TAS1R1
SCHEMBL18740412 0.96 NT5E (0.53) NT5EPOLBIMPDH2TAS1R3TAS1R1
SCHEMBL723267 0.94 NT5E (0.56) NT5EPOLBIMPDH2TAS1R3TAS1R1
SCHEMBL1576874 0.93 TGM2 (0.59) NT5EPOLBIMPDH2TAS1R3TAS1R1
SCHEMBL13522449 0.93 TGM2 (0.59) NT5EPOLBIMPDH2TAS1R3TAS1R1
SCHEMBL10819892 0.93 TGM2 (0.59) NT5EPOLBIMPDH2TAS1R3TAS1R1
Inx-09114 SCHEMBL23319265 0.92 P2RY2 (0.60) NT5EPOLBIMPDH2TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130017171-A1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS C VIRUS UNIVERSITA DEGLI STUDI DI CAGLIARI (IT) 2013-01-17 US claimed
US-20190225644-A1 MRNA CAP ANALOGS AND METHODS OF MRNA CAPPING MODERNATX, INC. 2019-07-25 US disclosed
WO-2017066793-A1 MRNA CAP ANALOGS AND METHODS OF MRNA CAPPING MODERNATX, INC. (US) 2017-04-20 WO disclosed
WO-2017066791-A1 SUGAR SUBSTITUTED MRNA CAP ANALOGS MODERNATX, INC. (US) 2017-04-20 WO disclosed
WO-2016014527-A2 STABILIZED NUCLEOTIDES FOR MEDICAL TREATMENT ACHILLION PHARMACEUTICALS, INC. (US) 2016-01-28 WO disclosed
US-20160016986-A1 STABILIZED NUCLEOTIDES FOR MEDICAL TREATMENT ACHILLION PHARMACEUTICALS, INC. 2016-01-21 US disclosed
US-9216960-B2 Spiro[2.4]heptanes for treatment of Flaviviridae infections UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-12-22 US disclosed
US-20150079036-A1 Spiro[2.4]heptanes for Treatment of Flaviviridae Infections UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-03-19 US disclosed
US-8946242-B2 Spiro[2.4]heptanes for treatment of flaviviridae infections UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-02-03 US disclosed
US-8921384-B2 Spiro[2.4]heptanes for treatment of flaviviridae infections UNVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2014-12-30 US disclosed
US-20130217644-A1 Pharmaceutical Compositions of 2'-C-Methyl-Guanosine, 5'-[2[(3-Hydroxy-2,2-Dimethyl-1-Oxopropyl)Thio]Ethyl N-(Phenylmethyl)Phosphoramidate] IDENIX PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
WO-2013123138-A2 SPIRO [2.4]HEPTANES FOR TREATMENT OF FLAVIVIRIDAE INFECTIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-08-22 WO disclosed
EP-2476690-A1 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX Pharmaceuticals, Inc. (US) 2012-07-18 EP disclosed
EP-2476690-A1 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX Pharmaceuticals, Inc. (US) 2012-07-18 EP disclosed
EP-2307434-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX Pharmaceuticals, Inc. (US) 2011-04-13 EP disclosed
WO-2010014134-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARAMACEUTICALS, INC. (US) 2010-02-04 WO disclosed
WO-2010014134-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARAMACEUTICALS, INC. (US) 2010-02-04 WO disclosed
US-20100003217-A1 Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections CRETTON-SCOTT ERIKA 2010-01-07 US disclosed
US-20100003217-A1 Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections CRETTON-SCOTT ERIKA 2010-01-07 US disclosed
US-20100003217-A1 Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections CRETTON-SCOTT ERIKA 2010-01-07 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-20160016986-A1 STABILIZED NUCLEOTIDES FOR MEDICAL TREATMENT NUDT1, DUT, ADAR NT5E 57/4885POLB 212/4885IMPDH2 186/4885
US-20100003217-A1 Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections HAVCR2, PYGL, GOT1 NT5E 424/4885POLB 272/4885IMPDH2 320/4885
US-20150079036-A1 Spiro[2.4]heptanes for Treatment of Flaviviridae Infections HAVCR2, SLC10A1, CYP8B1 NT5E 4434/4885POLB 4092/4885IMPDH2 1452/4885
US-20130017171-A1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS C VIRUS HAVCR2, HCCS, PYGL NT5E 407/4885POLB 842/4885IMPDH2 370/4885
US-20190225644-A1 MRNA CAP ANALOGS AND METHODS OF MRNA CAPPING RNGTT, RNMT, NSUN2 NT5E 572/4885POLB 438/4885IMPDH2 967/4885
US-20130217644-A1 Pharmaceutical Compositions of 2'-C-Methyl-Guanosine, 5'-[2[(3-Hydroxy-2,2-Dimethyl-1-Oxopropyl)Thio]Ethyl N-(Phenylmethyl)Phosphoramidate] MTAP, NT5C3B, RNMT NT5E 145/4885POLB 846/4885IMPDH2 80/4885

“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.