SCHEMBL2578243

SCHEMBL2578243

O=c1[nH]c(=O)n([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 4/20 0.52
TYMP P19971 9/20 0.47
TYMS P04818 3/20 0.47
HSP90AA1 P07900 1/20 0.42
TK2 O00142 1/20 0.42
DNPH1 O43598 1/20 0.39

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
SCHEMBL2582682 0.93 P2RY2 (0.55) P2RY2TYMPTYMSHSP90AA1
SCHEMBL2577339 0.89 P2RY2 (0.46) P2RY2TYMPTYMSHSP90AA1TK2
SCHEMBL2803432 0.88 PYGM (0.49) P2RY2TYMPHSP90AA1TK2
SCHEMBL2585410 0.88 PYGM (0.49) P2RY2TYMPHSP90AA1TK2
SCHEMBL2577944 0.88 PYGM (0.49) P2RY2TYMPHSP90AA1TK2
SCHEMBL2575263 0.88 TK2 (0.47) TYMPTK2
SCHEMBL2801918 0.88 HSP90AA1 (0.56) TYMPHSP90AA1TK2
SCHEMBL2587890 0.87 P2RY2 (0.46) P2RY2TYMPTYMSHSP90AA1TK2
SCHEMBL2583145 0.87 TK1 (0.48) TYMPHSP90AA1TK2DNPH1
SCHEMBL2582437 0.85 TYMP (0.45) P2RY2TYMPHSP90AA1TK2DNPH1

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 P2RY2 351/4885TYMP 39/4885TYMS 886/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH P2RY2 492/4885TYMP 19/4885TYMS 996/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP P2RY2 554/4885TYMP 33/4885TYMS 576/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 P2RY2 427/4885TYMP 42/4885TYMS 887/4885

“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.