SCHEMBL2580901

SCHEMBL2580901

Nc1nc(=O)n([C@@H]2O[C@H](CO)C[C@H]2O)cc1/C=C/C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 6/20 0.37
ADRB1 P08588 1/20 0.36
DNMT3B Q9UBC3 1/20 0.35
ALB P02768 1/20 0.35
TLR7 Q9NYK1 4/20 0.35
LMNA P02545 2/20 0.33
MTOR P42345 2/20 0.33
THRB P10828 1/20 0.33
MDM2 Q00987 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
GMNN O75496 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
HBB P68871 1/20 0.33

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
SCHEMBL2580902 1.00 DNMT1 (0.37) DNMT1ADRB1DNMT3BALBTLR7
SCHEMBL2577913 0.89 DNMT1 (0.37) DNMT1ADRB1DNMT3BALBTLR7
SCHEMBL2577912 0.89 DNMT1 (0.37) DNMT1ADRB1DNMT3BALBTLR7
SCHEMBL7240941 0.89 DNMT1 (0.37) DNMT1ADRB1DNMT3BALBTLR7
SCHEMBL2583871 0.88 DNMT1 (0.38) DNMT1ADRB1DNMT3BALBTLR7
SCHEMBL2583868 0.88 DNMT1 (0.38) DNMT1ADRB1DNMT3BALBTLR7
SCHEMBL2579427 0.88 DNMT1 (0.35) DNMT1ADRB1DNMT3BALBTLR7
SCHEMBL16631968 0.88 DNMT1 (0.35) DNMT1ADRB1DNMT3BALBTLR7
SCHEMBL2584404 0.87 TK1 (0.43) DNMT1ADRB1ALBTLR7LMNA
SCHEMBL2584408 0.87 TK1 (0.43) DNMT1ADRB1ALBTLR7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation GILEAD PHARMASSET LLC (US) 2018-10-16 US disclosed
US-20140057863-A1 MODIFIED NUCLEOSIDES FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION GILEAD SCIENCES, INC. (US) 2014-02-27 US disclosed
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PHARMASSET, INC. 2011-11-03 US disclosed
EP-2251015-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation Pharmasset, Inc. (US) 2010-11-17 EP disclosed
EP-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 EP 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 (3 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-20140057863-A1 MODIFIED NUCLEOSIDES FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION SLC29A1, PNP, SLC29A2 DNMT1 2568/4885ADRB1 744/4885DNMT3B 1140/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH DNMT1 2658/4885ADRB1 1219/4885DNMT3B 808/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP DNMT1 3151/4885ADRB1 349/4885DNMT3B 1213/4885

“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.