SCHEMBL5024727

SCHEMBL5024727

NCC(O)COP(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGD P52209 3/20 0.50
PGK1 P00558 1/20 0.50
PGK2 P07205 1/20 0.50
MPI P34949 1/20 0.47
GABRR1 P24046 1/20 0.46
GABBR2 O75899 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
LPAR5 Q9H1C0 2/20 0.46
LPAR6 P43657 1/20 0.42
LPAR1 Q92633 1/20 0.42
LPAR4 Q99677 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42
LPAR3 Q9UBY5 1/20 0.42
ENPP2 Q13822 1/20 0.42

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
SCHEMBL1286423 0.85 PGK1 (0.58) PGDPGK1PGK2MPILPAR5
SCHEMBL27421875 0.82 GABBR2 (0.54) PGDGABRR1GABBR2GABBR1LPAR5
Monoethanolamine SCHEMBL5181889 0.79 PGD (0.44) PGDPGK1PGK2MPILPAR5
SCHEMBL3950043 0.78 LPAR5 (0.61) PGDPGK1PGK2MPILPAR5
SCHEMBL6655023 0.78 PGK1 (0.52) PGDPGK1PGK2MPILPAR5
SCHEMBL24706048 0.78 PGK1 (0.52) PGDPGK1PGK2MPILPAR5
SCHEMBL3340798 0.78 PGK1 (0.52) PGDPGK1PGK2MPILPAR5
SCHEMBL3340890 0.78 PGK1 (0.52) PGDPGK1PGK2MPILPAR5
SCHEMBL12282272 0.78 PGK1 (0.52) PGDPGK1PGK2MPILPAR5
SCHEMBL14278848 0.78 PGK1 (0.52) PGDPGK1PGK2MPILPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329515-B2 Solid support for the synthesis of 3′-amino oligonucleotides SIGMA-ALDRICH CO. (US) 2008-02-12 US disclosed
EP-0854938-B1 BRANCHED PROBE AND METHOD OF DETECTING A SUBSTANCE TO BE ANALYZED ROCHE DIAGNOSTICS GMBH (DE) 2005-12-07 EP disclosed
US-20040220397-A1 Solid support for the synthesis of 3'-amino oligonucleotides PROLIGO LLC (US) 2004-11-04 US disclosed
US-6503714-B1 Contacting the sample with a probe under conditions in which said substance if present binds directly or indirectly to the probe, a plurality of nucleobases covalently attached to at least one strand of backbone comprising a plurality of atoms ROCHE DIAGNOSTICS GMBH (DE) 2003-01-07 US disclosed
US-6214549-B1 CONTACTING SAMPLE WITH PROBE COMPRISING STEM AND BRANCH SUCH THAT SUBSTANCE IF PRESENT BINDS DIRECTLY OR INDIRECTLY TO PROBE; MIXING BINDING PRODUCT WITH CONJUGATE; REMOVING UNBOUND CONJUGATE FROM MIXTURE; DETERMINING PRESENCE OF CONJUGATE ROCHE DIAGNOSTICS GMBH (DE) 2001-04-10 US disclosed
WO-1994004550-A1 CHOLESTERYL-MODIFIED TRIPLE-HELIX FORMING OLIGONUCLEOTIDES AND USES THEREOF TRIPLEX PHARMACEUTICAL CORPORATION (US) 1994-03-03 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-20040220397-A1 Solid support for the synthesis of 3'-amino oligonucleotides PCNA, DERA, RNGTT PGD 1546/4885PGK1 3316/4885PGK2 3442/4885

“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.