SCHEMBL2583884

SCHEMBL2583884

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.35
RNASE1 P07998 1/20 0.34
TSHR P16473 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
POLB P06746 1/20 0.33
SRC P12931 4/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
NT5E P21589 1/20 0.32
ABCB1 P08183 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
SCHEMBL2584827 0.93 TLR7 (0.34) GALR3RNASE1TLR7POLBSRC
SCHEMBL2581424 0.88 GALR3 (0.34) GALR3RNASE1TSHRPOLB
SCHEMBL2578114 0.86 NT5E (0.34) TSHRCYP3A4NT5E
SCHEMBL2585651 0.86 TLR7 (0.35) TLR7CA12CA1CA2CA9
SCHEMBL2584261 0.85 TLR7 (0.35) TLR7CA12CA1CA2CA9
SCHEMBL2583915 0.85 POLB (0.42) GALR3RNASE1POLBNT5EABCB1
SCHEMBL2587298 0.84 LMNA (0.37) TLR7CA12CA1CA2CA9
SCHEMBL2577797 0.84 ALB (0.42) TLR7
SCHEMBL2583000 0.84 TLR7 (0.36) TLR7CA12CA1CA2CA9
SCHEMBL2583459 0.84 ALDH1A1 (0.35) TLR7CA12CA1CA2CA9

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-2251015-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation Pharmasset, Inc. (US) 2010-11-17 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 GALR3 966/4885RNASE1 97/4885TSHR 3467/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH GALR3 470/4885RNASE1 97/4885TSHR 2361/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP GALR3 866/4885RNASE1 105/4885TSHR 3283/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 GALR3 843/4885RNASE1 103/4885TSHR 3550/4885

“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.