SCHEMBL2580896

SCHEMBL2580896

Nc1nc(=O)n([C@@H]2O[C@H](CO)C[C@H]2O)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.55
DNMT1 P26358 5/20 0.40
ADRB1 P08588 1/20 0.40
POLG P54098 1/20 0.40
DCK P27707 5/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTOR P42345 2/20 0.37
THRB P10828 1/20 0.37
MDM2 Q00987 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
GMNN O75496 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL2580898 1.00 ALB (0.55) ALBDNMT1ADRB1POLGDCK
SCHEMBL5717526 1.00 ALB (0.55) ALBDNMT1ADRB1POLGDCK
SCHEMBL19657159 1.00 ALB (0.55) ALBDNMT1ADRB1POLGDCK
SCHEMBL8621829 0.88 ALB (0.55) ALBDNMT1ADRB1POLGDCK
SCHEMBL13871553 0.88 ALB (0.55) ALBDNMT1ADRB1POLGDCK
SCHEMBL14577836 0.88 ALB (0.55) ALBDNMT1ADRB1POLGDCK
SCHEMBL4129272 0.88 ALB (0.55) ALBDNMT1ADRB1POLGDCK
SCHEMBL3195379 0.88 ALB (0.55) ALBDNMT1ADRB1POLGDCK
SCHEMBL2583043 0.88 DNMT1 (0.42) ALBDNMT1ADRB1LMNASMN1; SMN2
SCHEMBL2583037 0.88 DNMT1 (0.42) ALBDNMT1ADRB1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021497-B2 Compositions and methods for synthesis of phosphorylated molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-01 US claimed
US-20200239500-A1 Compositions and Methods for Synthesis of Phosphorylated Molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-07-30 US claimed
WO-2019195494-A1 COMPOSITIONS AND METHODS FOR SYNTHESIS OF PHOSPHORYLATED MOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-10 WO claimed
US-7598230-B2 For the treatment of viral infections, microbial infections, and proliferative disorders; contain di- or triphosphate moeity mimetics, such as those containing boron anions BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2009-10-06 US claimed
US-20070259832-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-11-08 US claimed
US-20040248844-A1 Method for the treatment or prevention of Flavivirus infections using nucleoside analogues ISMAILI HICHAM MOULAY ALAOUI (CA) 2004-12-09 US claimed
US-20040059104-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2004-03-25 US claimed
EP-1296690-A2 METHOD FOR THE TREATMENT OR PREVENTION OF i FLAVIVIRUS /i INFECTIONS USING NUCLEOSIDE ANALOGUES Shire Biochem Inc. (CA) 2003-04-02 EP claimed
US-20020019363-A1 Method for the treatment or prevention of flavivirus infections using nucleoside analogues VIROCHEM PHARMA INC. (CA) 2002-02-14 US claimed
WO-2001060315-A2 METHOD FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS USING NUCLEOSIDE ANALOGUES SHIRE BIOCHEM INC. (CA) 2001-08-23 WO claimed
US-11858953-B2 Compositions and methods for synthesis of phosphorylated molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-01-02 US disclosed
US-20210332070-A1 Compositions and Methods for Synthesis of Phosphorylated Molecules UNIV CALIFORNIA (US) 2021-10-28 US disclosed
US-11021497-B2 Compositions and methods for synthesis of phosphorylated molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-01 US disclosed
US-20200239500-A1 Compositions and Methods for Synthesis of Phosphorylated Molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-07-30 US disclosed
WO-2019195494-A1 COMPOSITIONS AND METHODS FOR SYNTHESIS OF PHOSPHORYLATED MOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-10 WO disclosed
US-6784161-B2 VIRICIDES FOR HEPATITIS C BIOCHEM PHARMA, INC. (CA) 2004-08-31 US disclosed
EP-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 EP disclosed
US-20040059104-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2004-03-25 US disclosed
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation PHARMASSET, INC. 2003-05-08 US disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 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 (9 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-20070259832-A1 Nucleotide mimics and their prodrugs NUDT14, ENTPD5, MTAP ALB 4137/4885DNMT1 570/4885ADRB1 3876/4885
US-11858953-B2 Compositions and methods for synthesis of phosphorylated molecules PIK3CA, CHAMP1, TYMP ALB 2637/4885DNMT1 402/4885ADRB1 4637/4885
US-20200239500-A1 Compositions and Methods for Synthesis of Phosphorylated Molecules PIK3CA, CHAMP1, TYMP ALB 2637/4885DNMT1 402/4885ADRB1 4637/4885
US-20040248844-A1 Method for the treatment or prevention of Flavivirus infections using nucleoside analogues NUDT1, HAVCR2, SLC28A1 ALB 1932/4885DNMT1 1551/4885ADRB1 3565/4885
US-20020019363-A1 Method for the treatment or prevention of flavivirus infections using nucleoside analogues NUDT1, HAVCR2, SLC28A1 ALB 1932/4885DNMT1 1551/4885ADRB1 3565/4885
US-11021497-B2 Compositions and methods for synthesis of phosphorylated molecules PIK3CA, CHAMP1, TYMP ALB 2637/4885DNMT1 402/4885ADRB1 4637/4885
US-20210332070-A1 Compositions and Methods for Synthesis of Phosphorylated Molecules PIK3CA, CHAMP1, TYMP ALB 2637/4885DNMT1 402/4885ADRB1 4637/4885
US-20040059104-A1 Nucleotide mimics and their prodrugs NUDT14, ENTPD5, MTAP ALB 4137/4885DNMT1 570/4885ADRB1 3876/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 ALB 3667/4885DNMT1 2832/4885ADRB1 848/4885

“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.