SCHEMBL3340798

SCHEMBL3340798

[O]C[C@H](O)COP(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.52
PGK2 P07205 1/20 0.52
PGD P52209 3/20 0.48
MPI P34949 1/20 0.48
LPAR5 Q9H1C0 2/20 0.47
LPAR6 P43657 1/20 0.43
LPAR1 Q92633 1/20 0.43
LPAR4 Q99677 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43
LPAR3 Q9UBY5 1/20 0.43
ENPP2 Q13822 1/20 0.43
SGPL1 O95470 3/20 0.38

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
SCHEMBL3340890 1.00 PGK1 (0.52) PGK1PGK2PGDMPILPAR5
SCHEMBL2475126 1.00 PGK1 (0.52) PGK1PGK2PGDMPILPAR5
SCHEMBL1286423 0.87 PGK1 (0.58) PGK1PGK2PGDMPILPAR5
SCHEMBL3950043 0.80 LPAR5 (0.61) PGK1PGK2PGDMPILPAR5
SCHEMBL6655023 0.80 PGK1 (0.52) PGK1PGK2PGDMPILPAR5
SCHEMBL24706048 0.80 PGK1 (0.52) PGK1PGK2PGDMPILPAR5
SCHEMBL7340 0.80 PGK1 (0.52) PGK1PGK2PGDMPILPAR5
SCHEMBL12282272 0.80 PGK1 (0.52) PGK1PGK2PGDMPILPAR5
SCHEMBL14278848 0.80 PGK1 (0.52) PGK1PGK2PGDMPILPAR5
SCHEMBL14278847 0.80 PGK1 (0.52) PGK1PGK2PGDMPILPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US 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 (1 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-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 PGK1 1485/4885PGK2 2016/4885PGD 3311/4885

“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.