SCHEMBL2578434

SCHEMBL2578434

O=c1[nH]c(=O)n([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O)cc1C=CCl

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK2 O00142 6/20 0.48
P2RY2 P41231 1/20 0.47
TYMP P19971 9/20 0.45
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL2579346 0.93 TK2 (0.57) TK2P2RY2TYMPHSP90AA1
SCHEMBL2583126 0.93 TK2 (0.50) TK2P2RY2TYMPHSP90AA1
SCHEMBL2580985 0.92 TK2 (0.49) TK2P2RY2TYMPHSP90AA1
SCHEMBL6887932 0.92 TK2 (0.55) TK2P2RY2TYMP
SCHEMBL2580581 0.91 TK2 (0.47) TK2P2RY2TYMPHSP90AA1
SCHEMBL2583364 0.90 TYMP (0.45) TK2P2RY2TYMPHSP90AA1
SCHEMBL2578125 0.90 TK2 (0.42) TK2P2RY2TYMPHSP90AA1
SCHEMBL2587514 0.88 TYMP (0.47) TK2P2RY2TYMP
SCHEMBL2586206 0.88 TK2 (0.44) TK2P2RY2TYMPHSP90AA1
SCHEMBL2584459 0.87 PYGM (0.52) P2RY2TYMPHSP90AA1

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 TK2 149/4885P2RY2 351/4885TYMP 39/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH TK2 261/4885P2RY2 492/4885TYMP 19/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP TK2 159/4885P2RY2 554/4885TYMP 33/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 TK2 190/4885P2RY2 427/4885TYMP 42/4885

“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.