SCHEMBL2587842

SCHEMBL2587842

O=c1[nH]c(=O)n([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](I)[C@H]2OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1I

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.48
HSP90AA1 P07900 1/20 0.44
PYGM P11217 1/20 0.43
P2RY6 Q15077 5/20 0.41
P2RY14 Q15391 3/20 0.41
TYMP P19971 5/20 0.40
BCHE P06276 1/20 0.37
P2RY2 P41231 1/20 0.37
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
SCHEMBL2583329 0.92 TK1 (0.45) TK1HSP90AA1PYGMP2RY6P2RY14
SCHEMBL2577536 0.90 HSP90AA1 (0.44) TK1HSP90AA1PYGMP2RY6TYMP
SCHEMBL2585410 0.90 PYGM (0.49) TK1HSP90AA1PYGMP2RY6P2RY14
SCHEMBL2585662 0.90 HSP90AA1 (0.56) TK1HSP90AA1P2RY6P2RY14TYMP
SCHEMBL2577261 0.90 TK2 (0.46) TK1HSP90AA1TK2
SCHEMBL2583952 0.90 HSP90AA1 (0.43) TK1HSP90AA1PYGMP2RY6P2RY14
SCHEMBL2584812 0.89 TK1 (0.48) TK1HSP90AA1TYMPTK2
SCHEMBL2577339 0.89 P2RY2 (0.46) TK1HSP90AA1TYMPP2RY2TK2
SCHEMBL2585316 0.88 PYGM (0.52) TK1HSP90AA1PYGMP2RY6P2RY14
SCHEMBL2583976 0.87 HSP90AA1 (0.41) TK1HSP90AA1TYMPP2RY2TK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH TK1 35/4885HSP90AA1 4329/4885PYGM 4/4885

“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.