SCHEMBL899532

SCHEMBL899532

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nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.58
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
PGD P52209 4/20 0.37
LPAR5 Q9H1C0 2/20 0.34
S1PR4 O95977 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 2/20 0.33
S1PR2 O95136 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSPO P30536 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
LPAR6 P43657 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR4 Q99677 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
ENPP2 Q13822 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
SCHEMBL9736070 0.95 MPI (0.59) MPIPGK1PGK2PGDLPAR5
SCHEMBL9737816 0.95 MPI (0.59) MPIPGK1PGK2PGDLPAR5
SCHEMBL9736725 0.95 MPI (0.59) MPIPGK1PGK2PGDLPAR5
SCHEMBL9738086 0.95 MPI (0.59) MPIPGK1PGK2PGDLPAR5
SCHEMBL9737465 0.95 MPI (0.59) MPIPGK1PGK2PGDLPAR5
SCHEMBL9737887 0.90 MPI (0.54) MPIPGK1PGK2PGDLPAR5
SCHEMBL9577648 0.87 PGK1 (0.43) MPIPGK1PGK2PGDLPAR5
SCHEMBL11567749 0.85 PGK1 (0.42) MPIPGK1PGK2PGDLPAR5
SCHEMBL23064234 0.85 MPI (0.43) MPIPGK1PGK2PGDLPAR5
SCHEMBL23064232 0.85 MPI (0.43) MPIPGK1PGK2PGDLPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155334-A1 POLYPHOSPHATE AND PYROPHOSPHATE DERIVATIVE OF SACCHARIDES UNIVERSITÉ DE STRASBOURG (FR) 2014-06-05 US disclosed
US-20140088036-A1 POLYPHOSPHATE AND PYROPHOSPHATE DERIVATIVE OF SACCHARIDES UNIVERSITE DE STRASBOURG (FR) 2014-03-27 US disclosed
EP-2621273-A2 POLYPHOSPHATE AND PYROPHOSPHATE DERIVATIVE OF SACCHARIDES Normoxys, Inc. (US) 2013-08-07 EP disclosed
WO-2012045009-A2 POLYPHOSPHATE AND PYROPHOSPHATE DERIVATIVE OF SACCHARIDES NORMOXYS, INC. (US) 2012-04-05 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-20140155334-A1 POLYPHOSPHATE AND PYROPHOSPHATE DERIVATIVE OF SACCHARIDES PPIP5K2, INPP5A, INPP5B MPI 17/4885PGK1 151/4885PGK2 155/4885
US-20140088036-A1 POLYPHOSPHATE AND PYROPHOSPHATE DERIVATIVE OF SACCHARIDES PPIP5K2, INPP5A, INPP5B MPI 17/4885PGK1 151/4885PGK2 155/4885

“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.