SCHEMBL2583459

SCHEMBL2583459

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TLR7 Q9NYK1 1/20 0.34
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
CA1 P00915 6/20 0.32
CA2 P00918 6/20 0.32
CA9 Q16790 6/20 0.32
CA12 O43570 5/20 0.32
CA14 Q9ULX7 3/20 0.31

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
SCHEMBL2580858 0.92 TLR7 (0.34) ALDH1A1TLR7
SCHEMBL2585651 0.90 TLR7 (0.35) ALDH1A1TLR7LMNATP53MAPT
SCHEMBL2584261 0.89 TLR7 (0.35) ALDH1A1TLR7LMNATP53MAPT
SCHEMBL2588028 0.88 TLR7 (0.34) ALDH1A1TLR7LMNATP53MAPT
SCHEMBL2577797 0.88 ALB (0.42) ALDH1A1TLR7LMNATP53MAPT
SCHEMBL2587298 0.88 LMNA (0.37) ALDH1A1TLR7LMNATP53MAPT
SCHEMBL2583000 0.88 TLR7 (0.36) ALDH1A1TLR7LMNATP53MAPT
SCHEMBL2585929 0.87 TLR7 (0.34) ALDH1A1TLR7LMNATP53MAPT
SCHEMBL2582446 0.86 TLR7 (0.35) ALDH1A1TLR7LMNATP53MAPT
SCHEMBL2587798 0.86 LMNA (0.33) ALDH1A1TLR7LMNATP53MAPT

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-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
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 ALDH1A1 1466/4885TLR7 122/4885LMNA 1019/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH ALDH1A1 2416/4885TLR7 86/4885LMNA 694/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP ALDH1A1 1128/4885TLR7 142/4885LMNA 821/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 ALDH1A1 1367/4885TLR7 116/4885LMNA 1076/4885

“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.