SCHEMBL2474974

SCHEMBL2474974

[O]CC(=O)COP(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TPI1 P60174 2/20 0.50
▸ PGK1 P00558 1/20 0.38
▸ PGK2 P07205 1/20 0.38
▸ PGD P52209 3/20 0.35
▸ LPAR3 Q9UBY5 3/20 0.33
▸ LPAR1 Q92633 2/20 0.33
▸ LPAR2 Q9HBW0 2/20 0.33
▸ FBP1 P09467 1/20 0.32
▸ FDPS P14324 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL5485133 0.86 TPI1 (0.56) TPI1PGK1PGK2PGDLPAR3
SCHEMBL43277 0.79 TPI1 (0.50) TPI1PGK1PGK2PGDLPAR3
SCHEMBL28769882 0.77 TPI1 (0.48) TPI1PGK1PGK2PGDLPAR3
SCHEMBL28466527 0.77 TPI1 (0.48) TPI1PGK1PGK2PGDLPAR3
SCHEMBL8138239 0.77 TPI1 (0.48) TPI1PGK1PGK2PGDLPAR3
SCHEMBL1065797 0.77 TPI1 (0.48) TPI1PGK1PGK2PGDLPAR3
Water SCHEMBL28701484 0.77 TPI1 (0.48) TPI1PGK1PGK2PGDLPAR3
SCHEMBL7059626 0.77 TPI1 (0.48) TPI1PGK1PGK2PGDLPAR3
SCHEMBL29156118 0.77 TPI1 (0.48) TPI1PGK1PGK2PGDLPAR3
Hydrogen Peroxide SCHEMBL28079410 0.77 TPI1 (0.48) TPI1PGK1PGK2PGDLPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370438-A1 IMIDAZO [1,2A]PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION Exelixis, Inc. (US) 2011-10-05 — — EP disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 — — US disclosed
WO-2010065760-A1 IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION EXELIXIS, INC. (US) 2010-06-10 — — 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 (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 TPI1 2086/4885PGK1 1485/4885PGK2 2016/4885

“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.

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