Sugi Predict

Sugi Predict / Compounds / SCHEMBL2583321

SCHEMBL2583321

SCHEMBL2583321

C#Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2OS(C)(=O)=O)c(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.39
▸ TYMP P19971 5/20 0.36
▸ TK2 O00142 5/20 0.35
▸ TK1 P04183 5/20 0.35

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
SCHEMBL2577875 0.97 HSP90AA1 (0.39) HSP90AA1TYMPTK2TK1
SCHEMBL2579564 0.88 TK2 (0.46) HSP90AA1TYMPTK2TK1
SCHEMBL2584920 0.87 TK1 (0.45) HSP90AA1TYMPTK2TK1
SCHEMBL2584269 0.87 HSP90AA1 (0.40) HSP90AA1TYMPTK2TK1
SCHEMBL2587764 0.87 HSP90AA1 (0.40) HSP90AA1TYMPTK2TK1
SCHEMBL2577952 0.87 TK1 (0.43) HSP90AA1TYMPTK2TK1
SCHEMBL2583318 0.87 HSP90AA1 (0.52) HSP90AA1TYMPTK2TK1
SCHEMBL2575255 0.87 P2RY2 (0.43) HSP90AA1TYMPTK2TK1
SCHEMBL2583452 0.86 HSP90AA1 (0.39) HSP90AA1TYMPTK2TK1
SCHEMBL2584033 0.85 TYMP (0.45) HSP90AA1TYMPTK2

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 HSP90AA1 4531/4885TYMP 39/4885TK2 149/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH HSP90AA1 4329/4885TYMP 19/4885TK2 261/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP HSP90AA1 4602/4885TYMP 33/4885TK2 159/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 HSP90AA1 4586/4885TYMP 42/4885TK2 190/4885

“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.