SCHEMBL2587599

SCHEMBL2587599

CC(=O)OC[C@H]1O[C@@H](n2cc(Cl)c(NO)nc2=O)C[C@@H]1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 4/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 2/20 0.35
RNASE1 P07998 1/20 0.34
P2RY1 P47900 1/20 0.34
UPP1 Q16831 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL2587513 0.89 RNASE1 (0.40) POLBLMNAALDH1A1MAPTTP53
SCHEMBL2587213 0.89 LMNA (0.37) POLBLMNAALDH1A1MAPTTP53
SCHEMBL2584230 0.89 POLB (0.36) POLBLMNAALDH1A1MAPTTP53
SCHEMBL2580684 0.89 POLB (0.36) POLBLMNAALDH1A1MAPTTP53
SCHEMBL3387785 0.89 POLB (0.36) POLBLMNAALDH1A1MAPTTP53
SCHEMBL2580798 0.87 POLB (0.35) POLBLMNAALDH1A1MAPTTP53
SCHEMBL2579327 0.87 CA12 (0.36) POLBLMNAALDH1A1MAPTTP53
SCHEMBL2583846 0.87 POLB (0.35) POLBLMNAALDH1A1MAPTTP53
SCHEMBL2577915 0.86 LMNA (0.36) POLBLMNAALDH1A1MAPTTP53
SCHEMBL2578960 0.86 POLB (0.35) POLBLMNAALDH1A1MAPTTP53

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 5 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-1411954-B1 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET INC (US) 2010-12-15 EP 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 POLB 349/4885LMNA 1019/4885ALDH1A1 1466/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH POLB 425/4885LMNA 694/4885ALDH1A1 2416/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP POLB 282/4885LMNA 821/4885ALDH1A1 1128/4885

“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.