SCHEMBL5513784

SCHEMBL5513784

CCOC(C[C@@H](CO)Cn1cnc2c(Cl)nc(N)nc21)OCC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 14/20 0.46
HSP90AA1 P07900 13/20 0.46
HDAC6 Q9UBN7 3/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC4 P56524 1/20 0.44
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
HSP90B1 P14625 1/20 0.42
TRAP1 Q12931 1/20 0.42

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
SCHEMBL5513793 1.00 HSP90AB1 (0.46) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL4572421 0.88 CCNE1 (0.43) HSP90AB1HSP90AA1CDK1CCNB1CCNE1
SCHEMBL5508144 0.87 KDM4E (0.45) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL5508152 0.87 KDM4E (0.45) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL22910682 0.86 HSP90AB1 (0.53) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL4572420 0.83 CDK2 (0.39) HSP90AB1HSP90AA1CDK1CCNB1CCNE1
SCHEMBL5509432 0.81 BLM (0.60)
SCHEMBL5509437 0.81 BLM (0.60)
SCHEMBL4570448 0.80 HDAC6 (0.50) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL7886343 0.80 MGMT (0.47) CDK1CCNB1CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9492456-B2 Valomaciclovir polymorphs EPIPHANY BIOSCIENCES, INC. (US) 2016-11-15 US disclosed
US-20150051229-A1 VALOMACICLOVIR POLYMORPHS EPIPHANY BIOSCIENCES INC (US) 2015-02-19 US disclosed
US-7189849-B2 Synthesis of acyclic nucleoside derivatives MEDIVIR AB (SE) 2007-03-13 US disclosed
US-20050250795-A1 Synthesis of acyclic nucleoside derivatives MEDIVIR AB (SE) 2005-11-10 US disclosed
EP-1535923-A1 Synthesis of acyclic nucleoside derivatives Medivir Aktiebolag (SE) 2005-06-01 EP disclosed
US-6878844-B2 Synthesis of acyclic nucleoside derivatives MEDIVIR AB (SE) 2005-04-12 US disclosed
US-20040248910-A1 Synthesis of acyclic nucleoside derivatives MEDIVIR AB (SE) 2004-12-09 US disclosed
US-20040024214-A1 Synthesis of acyclic nucleoside derivatives MEDIVIR AB (SE) 2004-02-05 US disclosed
US-6613936-B1 Herpes and retroviral infections; diester derivatives of H2G bearing specific combinations of an amino acid ester and a fatty acid ester, improved oral bioavailability; 9-(2-(butyryloxymethyl)-4-(L-isoleucyloxy)butyl)guanine MEDIVIR AB (SE) 2003-09-02 US disclosed
EP-0971923-B1 SYNTHESIS OF ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 2002-11-06 EP disclosed
US-6184376-B1 POTENT ANTIVIRALS, ESPECIALLY AGAINST HERPES INFECTIONS, SUCH AS THOSE CAUSED BY VARICELLA ZOSTER VIRUS, HERPES SIMPLEX, EPSTEIN-BARR VIRUS, HERPES TYPE 6 (HHV-6) AND TYPE 8 (HHV-8). SHINGLES IN THE ELDERLY OR CHICKEN POX IN THE YOUNG MEDIVER AB (SE) 2001-02-06 US disclosed
EP-0971923-A2 SYNTHESIS OF ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 2000-01-19 EP disclosed
WO-1998034917-A2 SYNTHESIS OF ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 1998-08-13 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-20040024214-A1 Synthesis of acyclic nucleoside derivatives NSUN2, SLC28A1, NUDT1 HSP90AB1 4321/4885HSP90AA1 4337/4885HDAC6 1795/4885
US-20040248910-A1 Synthesis of acyclic nucleoside derivatives NSUN2, SLC28A1, NUDT1 HSP90AB1 4321/4885HSP90AA1 4337/4885HDAC6 1795/4885
US-20050250795-A1 Synthesis of acyclic nucleoside derivatives ASNS, NUDT1, PNP HSP90AB1 4439/4885HSP90AA1 4364/4885HDAC6 1888/4885
US-20150051229-A1 VALOMACICLOVIR POLYMORPHS TYMP, SI, CYP3A4 HSP90AB1 4335/4885HSP90AA1 4192/4885HDAC6 890/4885

“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.