SCHEMBL3889388

SCHEMBL3889388

O=C(O)/C=C/C(=O)OC(CO)COP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.42
HCAR2 Q8TDS4 3/20 0.42
PGK1 P00558 1/20 0.41
PGK2 P07205 1/20 0.41
PGD P52209 3/20 0.39
MPI P34949 1/20 0.35
LPAR3 Q9UBY5 3/20 0.35
LPAR1 Q92633 3/20 0.35
ENPP2 Q13822 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL15570481 0.80 HCAR2 (0.56) HCAR2
SCHEMBL4439679 0.80 HCAR2 (0.56) HCAR2
SCHEMBL29571379 0.80 S1PR1 (0.44) S1PR1PGK1PGK2PGDMPI
Fumaric Acid SCHEMBL3889386 0.76 PGK1 (0.50) PGK1PGK2PGDMPILPAR3
SCHEMBL8459558 0.74 HCAR2 (0.53) HCAR2
SCHEMBL6049911 0.74 HCAR2 (0.53) HCAR2
SCHEMBL6049907 0.74 HCAR2 (0.53) HCAR2
SCHEMBL7328567 0.74 PGD (0.58) S1PR1PGK1PGK2PGDLPAR3
SCHEMBL2045541 0.74 HCAR2 (0.48) HCAR2
SCHEMBL30211348 0.72 S1PR1 (0.64) S1PR1LPAR3LPAR1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-05-07 US disclosed
CN-101410407-A Substituted adenines and the uses thereof ASTRAZENECA AB (SE) 2009-04-15 CN disclosed
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 US disclosed
EP-2010553-A1 SUBSTITUTED ADENINES AND THE USES THEREOF AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2008117047-A1 PYRAZOLO[3, 4-D]PYRIMIDINE DERIVATIVES AS ANTIBACTERIAL COMPOUNDS ASTRAZENECA AB (SE) 2008-10-02 WO disclosed
WO-2008117046-A1 PYRAZOLO [4, 3-D] PYRIMIDINES AS ANTIBACTERIAL COMPOUNDS ASTRAZENECA AB (SE) 2008-10-02 WO disclosed
CN-101072787-A Substituted adenines and the use thereof ASTRAZENECA AB (SE) 2007-11-14 CN disclosed
WO-2007113538-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2007-10-11 WO disclosed
EP-1805196-A1 SUBSTITUTED ADENINES AND THE USE THEREOF AstraZeneca AB (SE) 2007-07-11 EP disclosed
WO-2006040558-A1 SUBSTITUTED ADENINES AND THE USE THEREOF ASTRAZENECA AB (SE) 2006-04-20 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 S1PR1 2196/4885HCAR2 1093/4885PGK1 1416/4885
US-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 S1PR1 2319/4885HCAR2 1156/4885PGK1 1268/4885

“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.