SCHEMBL2584865

SCHEMBL2584865

CS(=O)(=O)O[C@H]1[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](n2cc(I)c(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.43
HSP90AA1 P07900 1/20 0.40
PYGM P11217 1/20 0.39
P2RY6 Q15077 5/20 0.38
P2RY14 Q15391 3/20 0.38
TYMP P19971 4/20 0.37
TK2 O00142 5/20 0.37
P2RY2 P41231 1/20 0.36

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
SCHEMBL2577952 0.97 TK1 (0.43) TK1HSP90AA1PYGMP2RY6P2RY14
SCHEMBL2578129 0.90 TK2 (0.46) TK1HSP90AA1TYMPTK2
SCHEMBL2583808 0.90 HSP90AA1 (0.40) TK1HSP90AA1PYGMP2RY6P2RY14
SCHEMBL2577689 0.90 HSP90AA1 (0.52) TK1HSP90AA1P2RY6P2RY14TYMP
SCHEMBL2584866 0.90 HSP90AA1 (0.40) TK1HSP90AA1PYGMP2RY6TYMP
SCHEMBL2581503 0.90 TK1 (0.45) TK1HSP90AA1TYMPTK2
SCHEMBL2579582 0.89 P2RY2 (0.43) TK1HSP90AA1TYMPTK2P2RY2
SCHEMBL2584747 0.88 TK2 (0.47) TK1HSP90AA1TYMPTK2P2RY2
SCHEMBL2585399 0.88 HSP90AA1 (0.39) TK1HSP90AA1TYMPTK2
SCHEMBL2580981 0.88 TK2 (0.43) TK1HSP90AA1TYMPTK2P2RY2

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 TK1 12/4885HSP90AA1 4531/4885PYGM 89/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH TK1 35/4885HSP90AA1 4329/4885PYGM 4/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP TK1 5/4885HSP90AA1 4602/4885PYGM 99/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 TK1 12/4885HSP90AA1 4586/4885PYGM 72/4885

“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.