SCHEMBL3863287

SCHEMBL3863287

C=C(COCP(=O)(O)O)C(CC(C)(C)C(O[SiH2]C)O[SiH2]C)n1cnc2c(Cl)nc(N)nc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.37
NT5E P21589 1/20 0.33
HSP90AA1 P07900 4/20 0.31
HSP90AB1 P08238 4/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
FGFR1 P11362 1/20 0.30
SLC22A6 Q4U2R8 1/20 0.30
PNP P00491 1/20 0.30

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
SCHEMBL13714779 0.83 HPRT1 (0.43) HPRT1NT5EHSP90AA1HSP90AB1HDAC4
SCHEMBL3854698 0.81 HPRT1 (0.40) HPRT1NT5EHSP90AA1HSP90AB1HDAC4
SCHEMBL13742912 0.79 HPRT1 (0.44) HPRT1NT5EHSP90AA1HSP90AB1HDAC4
SCHEMBL3853182 0.74 HPRT1 (0.44) HPRT1NT5EFGFR1SLC22A6PNP
SCHEMBL13714781 0.74 HPRT1 (0.44) HPRT1NT5EFGFR1SLC22A6PNP
SCHEMBL13714841 0.73 HSP90AA1 (0.33) HPRT1NT5EHSP90AA1HSP90AB1HDAC4
SCHEMBL13714795 0.72 NT5E (0.33) HPRT1NT5EHSP90AA1HSP90AB1HDAC4
SCHEMBL13743232 0.72 NT5E (0.34) NT5ESLC22A6
SCHEMBL13743182 0.70 HPRT1 (0.45) HPRT1NT5EFGFR1SLC22A6PNP
SCHEMBL385550 0.70 CYP3A4 (0.45) HPRT1NT5EHSP90AA1HSP90AB1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579332-B2 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2009-08-25 US disclosed
US-20060252729-A1 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. 2006-11-09 US disclosed
EP-1656387-A2 NUCLEOBASE PHOSPHONATE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2006-05-17 EP disclosed
US-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. 2005-03-17 US disclosed
WO-2005012324-A2 NUCLEOBASE PHOSPHONATE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2005-02-10 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 (2 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-20060252729-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 HPRT1 16/4885NT5E 19/4885HSP90AA1 3573/4885
US-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 HPRT1 16/4885NT5E 19/4885HSP90AA1 3573/4885

“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.