SCHEMBL1364784

SCHEMBL1364784

O=c1cc(I)n([C@@H]2O[C@@H]3COP(=O)(O)O[C@H]3[C@H]2O)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.50
PDE4B Q07343 10/20 0.50
PDE4C Q08493 10/20 0.50
PDE4D Q08499 10/20 0.50
STING1 Q86WV6 6/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
LMNA P02545 2/20 0.44
GMNN O75496 1/20 0.44
RAPGEF3 O95398 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.44

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
SCHEMBL3207334 0.87 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL1363426 0.87 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL1362756 0.87 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL1362044 0.86 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL3223787 0.85 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL3220715 0.85 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL1363150 0.82 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL15189819 0.82 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL1364020 0.80 UMPS (0.48) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL1363178 0.80 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DSTING1

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
EP-1931691-B1 ODCASE INHIBITORS FOR THE TREATMENT OF MALARIA UNIV HEALTH NETWORK (CA) 2013-08-21 EP claimed
US-20100056468-A1 Pyrimidine Derivatives As Anticancer Agents UNIVERSITY HEALTH NETWORK (CA) 2010-03-04 US claimed
WO-2008083465-A1 PYRIMIDINE DERIVATIVES AS ANTICANCER AGENTS UNIVERSITY HEALTH NETWORK (CA) 2008-07-17 WO claimed
EP-1931691-B1 ODCASE INHIBITORS FOR THE TREATMENT OF MALARIA UNIV HEALTH NETWORK (CA) 2013-08-21 EP disclosed
US-8067391-B2 ODCase inhibitors for the treatment of malaria UNIVERSITY HEALTH NETWORK (CA) 2011-11-29 US disclosed
US-20100087388-A1 ODCASE INHIBITORS AS ANTI-VIRALS AND ANTIBIOTICS KOTRA LAKSHMI P 2010-04-08 US disclosed
US-20100056468-A1 Pyrimidine Derivatives As Anticancer Agents UNIVERSITY HEALTH NETWORK (CA) 2010-03-04 US disclosed
WO-2008083465-A1 PYRIMIDINE DERIVATIVES AS ANTICANCER AGENTS UNIVERSITY HEALTH NETWORK (CA) 2008-07-17 WO disclosed
EP-1931691-A1 ODCASE INHIBITORS FOR THE TREATMENT OF MALARIA University Health Network (CA) 2008-06-18 EP disclosed
WO-2007038860-A2 ODCASE INHIBITORS AS ANTI-VIRALS AND ANTIBIOTICS UNIVERSITY HEALTH NETWORK (CA) 2007-04-12 WO disclosed
WO-2007038859-A1 ODCASE INHIBITORS FOR THE TREATMENT OF MALARIA UNIVERSITY HEALTH NETWORK (CA) 2007-04-12 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-20100056468-A1 Pyrimidine Derivatives As Anticancer Agents DPYD, TYMP, TYMS PDE4A 2919/4885PDE4B 2756/4885PDE4C 3387/4885
US-20100087388-A1 ODCASE INHIBITORS AS ANTI-VIRALS AND ANTIBIOTICS ITPA, DUT, MAOA PDE4A 565/4885PDE4B 623/4885PDE4C 416/4885

“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.