SCHEMBL2584459

SCHEMBL2584459

O=c1[nH]c(=O)n([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.52
TYMP P19971 14/20 0.47
P2RY6 Q15077 1/20 0.44
P2RY14 Q15391 1/20 0.44
HSP90AA1 P07900 1/20 0.43
P2RY2 P41231 1/20 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
SCHEMBL2803432 0.93 PYGM (0.49) PYGMTYMPP2RY6P2RY14HSP90AA1
SCHEMBL2583981 0.89 PYGM (0.52) PYGMTYMPP2RY6HSP90AA1P2RY2
SCHEMBL2580992 0.89 TYMP (0.47) TYMP
SCHEMBL2580552 0.89 HSP90AA1 (0.56) TYMPP2RY6P2RY14HSP90AA1P2RY2
SCHEMBL2585316 0.89 PYGM (0.52) PYGMTYMPP2RY6P2RY14HSP90AA1
SCHEMBL2584503 0.89 HSP90AA1 (0.43) PYGMTYMPP2RY6P2RY14HSP90AA1
SCHEMBL2587822 0.88 TYMP (0.47) TYMPHSP90AA1
SCHEMBL2582682 0.88 P2RY2 (0.55) TYMPHSP90AA1P2RY2
SCHEMBL2578434 0.87 TK2 (0.48) TYMPHSP90AA1P2RY2
SCHEMBL2583952 0.87 HSP90AA1 (0.43) PYGMTYMPP2RY6P2RY14HSP90AA1

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 PYGM 89/4885TYMP 39/4885P2RY6 221/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH PYGM 4/4885TYMP 19/4885P2RY6 377/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP PYGM 99/4885TYMP 33/4885P2RY6 318/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 PYGM 72/4885TYMP 42/4885P2RY6 269/4885

“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.