SCHEMBL2579450

SCHEMBL2579450

COC(=O)/C=C/c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1NO

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 5/20 0.46
ADRB1 P08588 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
TK1 P04183 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DNMT3B Q9UBC3 1/20 0.40

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
SCHEMBL2579453 1.00 DNMT1 (0.46) DNMT1ADRB1CYP1A2CYP3A4TSHR
SCHEMBL2575404 0.89 DNMT1 (0.48) DNMT1ADRB1CYP1A2CYP3A4TSHR
SCHEMBL2575407 0.89 DNMT1 (0.48) DNMT1ADRB1CYP1A2CYP3A4TSHR
SCHEMBL7598712 0.88 DNMT1 (0.52) DNMT1ADRB1CYP1A2CYP3A4TSHR
SCHEMBL12582475 0.88 DNMT1 (0.52) DNMT1ADRB1CYP1A2CYP3A4TSHR
SCHEMBL7598717 0.88 DNMT1 (0.52) DNMT1ADRB1CYP1A2CYP3A4TSHR
SCHEMBL2583109 0.87 TK1 (0.51) DNMT1ADRB1CYP1A2CYP3A4TSHR
SCHEMBL2583113 0.87 TK1 (0.51) DNMT1ADRB1CYP1A2CYP3A4TSHR
SCHEMBL2579556 0.85 TK1 (0.61) DNMT1ADRB1CYP1A2CYP3A4TSHR
SCHEMBL2579557 0.85 TK1 (0.61) DNMT1ADRB1CYP1A2CYP3A4TSHR

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 4 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

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 744/4885CYP1A2 506/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH DNMT1 2658/4885ADRB1 1219/4885CYP1A2 1267/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP DNMT1 3151/4885ADRB1 349/4885CYP1A2 702/4885

“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.