SCHEMBL2580988

SCHEMBL2580988

COC(=O)OC[C@@H]1C[C@@H](OC(C)=O)[C@H](n2cc(C)c(=O)[nH]c2=O)O1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ALB P02768 1/20 0.44
POLB P06746 1/20 0.44
ADRA1A P35348 1/20 0.44
BLM P54132 1/20 0.44
TK1 P04183 5/20 0.43
RNASE1 P07998 1/20 0.42
TYMP P19971 3/20 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
SCHEMBL2581474 0.92 RNASE1 (0.45) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL2581471 0.92 RNASE1 (0.45) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL2583581 0.91 PYGM (0.41) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL2577510 0.90 TK2 (0.36) TK1
SCHEMBL2585608 0.90 HTT (0.37) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL2583489 0.90 LMNA (0.43) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL2584755 0.90 PYGM (0.41) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL2584552 0.90 PYGM (0.41) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL2584584 0.89 RNASE1 (0.35) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL2585640 0.89 TK1 (0.33) ALDH1A1LMNAALBPOLBADRA1A

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 8 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
EP-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 EP disclosed
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation PHARMASSET, INC. 2003-05-08 US disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 WO 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 1466/4885LMNA 1019/4885ALB 3294/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH ALDH1A1 2416/4885LMNA 694/4885ALB 3183/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP ALDH1A1 1128/4885LMNA 821/4885ALB 3735/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 ALDH1A1 1367/4885LMNA 1076/4885ALB 3667/4885

“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.