SCHEMBL5508152

SCHEMBL5508152

CCOC(CC(COC(C)=O)Cn1cnc2c(Cl)nc(N)nc21)OCC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ADRA1A P35348 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HDAC6 Q9UBN7 5/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC4 P56524 1/20 0.43
HSP90AB1 P08238 12/20 0.43
HSP90AA1 P07900 11/20 0.43

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
SCHEMBL5508144 1.00 KDM4E (0.45) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL4570455 0.91 KDM4E (0.44) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL4572432 0.90 KDM4E (0.47) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL5509440 0.89 KDM4E (0.44) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL5509446 0.89 KDM4E (0.44) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL5513784 0.87 HSP90AB1 (0.46) HDAC6HDAC1HDAC4HSP90AB1HSP90AA1
SCHEMBL5513793 0.87 HSP90AB1 (0.46) HDAC6HDAC1HDAC4HSP90AB1HSP90AA1
SCHEMBL6473322 0.84 KDM4E (0.40) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL6473315 0.84 KDM4E (0.40) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL6472086 0.83 MGMT (0.42) KDM4EALDH1A1HPGDADRA1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240681-A1 VALOMACICLOVIR POLYMORPHS EPIPHANY BIOSCIENCES, INC. (US) 2010-09-23 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-1131323-A1 SYNTHESIS OF ACYCLIC NUCLEOSIDE DERIVATIVES Medivir Aktiebolag (SE) 2001-09-12 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
WO-2000008025-A1 SYNTHESIS OF ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 2000-02-17 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-20100240681-A1 VALOMACICLOVIR POLYMORPHS TYMP, SI, CYP3A4 KDM4E 931/4885ALDH1A1 3349/4885HPGD 894/4885
US-20040024214-A1 Synthesis of acyclic nucleoside derivatives NSUN2, SLC28A1, NUDT1 KDM4E 4410/4885ALDH1A1 2176/4885HPGD 1298/4885
US-20040248910-A1 Synthesis of acyclic nucleoside derivatives NSUN2, SLC28A1, NUDT1 KDM4E 4410/4885ALDH1A1 2176/4885HPGD 1298/4885
US-20050250795-A1 Synthesis of acyclic nucleoside derivatives ASNS, NUDT1, PNP KDM4E 4268/4885ALDH1A1 2194/4885HPGD 943/4885

“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.