SCHEMBL2583915

SCHEMBL2583915

CC(=O)OC[C@@H]1C[C@@H](OC(C)=O)[C@H](n2cc(-c3ccccc3)c(NC(=O)c3ccccc3)nc2=O)O1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
RNASE1 P07998 1/20 0.35
P2RY6 Q15077 2/20 0.35
P2RY14 Q15391 2/20 0.35
NT5E P21589 1/20 0.34
ABCB1 P08183 5/20 0.34
ADORA3 P0DMS8 2/20 0.33
TMIGD3 P0DMS9 2/20 0.33
NPC1 O15118 1/20 0.33
GALR3 O60755 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 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
SCHEMBL2589479 0.94 TMIGD3 (0.41) POLBADORA3TMIGD3ADORA2AADORA2B
SCHEMBL2586190 0.91 POLB (0.41) POLBABL1RIN1RNASE1P2RY6
SCHEMBL2581424 0.90 GALR3 (0.34) POLBRNASE1P2RY6GALR3
SCHEMBL2587843 0.89 POLB (0.40) POLBABL1RIN1P2RY6P2RY14
SCHEMBL2578179 0.88 POLB (0.39) POLBABL1RIN1P2RY6P2RY14
SCHEMBL2585789 0.87 POLB (0.38) POLBABL1RIN1P2RY6P2RY14
SCHEMBL2577864 0.87 POLB (0.38) POLBABL1RIN1P2RY6P2RY14
SCHEMBL2583884 0.85 GALR3 (0.35) POLBRNASE1NT5EABCB1GALR3
SCHEMBL2577572 0.83 POLB (0.55) POLBABL1RIN1P2RY6P2RY14
SCHEMBL2585403 0.82 TRIP13 (0.38) POLBADORA3TMIGD3NPC1ALDH1A1

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
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation PHARMASSET, INC. 2003-05-08 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 (4 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 349/4885ABL1 198/4885RIN1 3565/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH POLB 425/4885ABL1 907/4885RIN1 4539/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP POLB 282/4885ABL1 322/4885RIN1 3994/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 POLB 421/4885ABL1 256/4885RIN1 3597/4885

“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.