SCHEMBL12189512

SCHEMBL12189512

O=C(O)CC(O)(O)CCOP(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MVD P53602 3/20 0.49
▸ LPAR3 Q9UBY5 5/20 0.35
▸ LPAR2 Q9HBW0 3/20 0.35
▸ LPAR1 Q92633 2/20 0.35
▸ PGK1 P00558 1/20 0.35
▸ PGK2 P07205 1/20 0.35
▸ CPT2 P23786 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PGD P52209 1/20 0.33
▸ HMGCR P04035 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TPI1 P60174 1/20 0.32
▸ ACLY P53396 1/20 0.31

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
SCHEMBL1286788 0.81 HMGCR (0.50) MVDLPAR3LPAR2LPAR1PGK1
SCHEMBL18376075 0.81 HMGCR (0.50) MVDLPAR3LPAR2LPAR1PGK1
SCHEMBL599363 0.81 HMGCR (0.50) MVDLPAR3LPAR2LPAR1PGK1
SCHEMBL31124602 0.74 MVD (0.41) MVDLPAR3LPAR2LPAR1PGK1
SCHEMBL28482299 0.73 LPAR3 (0.43) MVDLPAR3LPAR2LPAR1PGK1
SCHEMBL3040727 0.70 FFAR1 (0.53) MVDLPAR3LPAR2LPAR1CPT2
SCHEMBL2710223 0.69 LPAR3 (0.43) MVDLPAR3LPAR2LPAR1PGK1
Diphosphomelavonate SCHEMBL29398109 0.68 MVD (0.64) MVDCPT2HMGCRCHRM1TBXA2R
SCHEMBL258171 0.68 LPAR3 (0.63) LPAR3LPAR2LPAR1
SCHEMBL11572445 0.67 LPAR3 (0.41) MVDLPAR3LPAR2LPAR1PGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120231972-A1 Probe Compound for Detecting and Isolating Enzymes and Means and Methods Using the Same INSTITUTE OF CATALYSIS (CSIC) (ES) 2012-09-13 — — US disclosed
WO-2010105851-A1 PROBE COMPOUND FOR DETECTING AND ISOLATING ENZYMES AND MEANS AND METHODS USING THE SAME Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-23 — — 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-20120231972-A1 Probe Compound for Detecting and Isolating Enzymes and Means and Methods Using the Same SI, GUSB, MPI MVD 539/4885LPAR3 2423/4885LPAR2 3520/4885

“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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