SCHEMBL3854007

SCHEMBL3854007

CC(C)(CO)Cn1cnc2c(Cl)nc(N)nc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 15/20 0.51
HSP90AA1 P07900 14/20 0.51
HDAC6 Q9UBN7 5/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC4 P56524 1/20 0.49
HSP90B1 P14625 1/20 0.46
TRAP1 Q12931 1/20 0.46

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
SCHEMBL6884460 0.86 HSP90AB1 (0.55) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL3855536 0.80 HSP90AB1 (0.47) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL3851009 0.80 HSP90AB1 (0.44) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL29108620 0.80 HSP90AB1 (0.51) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL3855539 0.79 HSP90AB1 (0.43) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL31058755 0.79 HDAC6 (0.54) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL27854926 0.78 CDK1 (0.71) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL13742935 0.78 HDAC1 (0.43) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL8839971 0.77 HDAC6 (0.46) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL6002747 0.77 HSP90AB1 (0.42) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4

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 7 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-7579332-B2 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2009-08-25 US disclosed
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 HSP90AB1 2759/4885HSP90AA1 3573/4885HDAC6 2419/4885
US-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 HSP90AB1 2759/4885HSP90AA1 3573/4885HDAC6 2419/4885

“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.