SCHEMBL2580783

SCHEMBL2580783

O=c1[nH]c(=O)n([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2I)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.43
PYGM P11217 1/20 0.42
P2RY6 Q15077 3/20 0.41
P2RY2 P41231 2/20 0.41
TYMP P19971 5/20 0.40
P2RY4 P51582 1/20 0.39
TK1 P04183 4/20 0.36
TK2 O00142 2/20 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
SCHEMBL2577536 0.93 HSP90AA1 (0.44) HSP90AA1PYGMP2RY6P2RY2TYMP
SCHEMBL2583329 0.90 TK1 (0.45) HSP90AA1PYGMP2RY6P2RY2TYMP
SCHEMBL2587175 0.89 HSP90AA1 (0.56) HSP90AA1P2RY6TYMPTK1TK2
SCHEMBL2583310 0.89 TK2 (0.46) HSP90AA1TK1TK2
SCHEMBL2584503 0.89 HSP90AA1 (0.43) HSP90AA1PYGMP2RY6TYMPTK1
SCHEMBL2583981 0.89 PYGM (0.52) HSP90AA1PYGMP2RY6P2RY2TYMP
SCHEMBL2585799 0.88 TK2 (0.49) HSP90AA1P2RY2TYMPTK1TK2
SCHEMBL2583399 0.88 TK1 (0.46) HSP90AA1TYMPTK1TK2
SCHEMBL2587890 0.88 P2RY2 (0.46) HSP90AA1P2RY2TYMPTK1TK2
SCHEMBL2577944 0.87 PYGM (0.49) HSP90AA1PYGMP2RY6P2RY2TYMP

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 HSP90AA1 4531/4885PYGM 89/4885P2RY6 221/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH HSP90AA1 4329/4885PYGM 4/4885P2RY6 377/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP HSP90AA1 4602/4885PYGM 99/4885P2RY6 318/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 HSP90AA1 4586/4885PYGM 72/4885P2RY6 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.