SCHEMBL864602

SCHEMBL864602

[CH2][C@H](O)[C@H](O)[C@@H](O)CP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
FOLH1 Q04609 4/20 0.32
LAP3 P28838 1/20 0.32
FDPS P14324 1/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MMP2 P08253 1/20 0.30
THRB P10828 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NAALAD2 Q9Y3Q0 1/20 0.30

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
SCHEMBL27918008 0.79 GABBR2 (0.39) GABBR2GABBR1FOLH1KDM4EMMP2
SCHEMBL28589992 0.75 LMNA (0.48) GABBR2GABBR1FOLH1KDM4E
SCHEMBL94328 0.73
SCHEMBL15094427 0.71 PDE4A (0.46) FOLH1NAALAD2
SCHEMBL7044893 0.70 MPI (0.44) GABBR2GABBR1
SCHEMBL20475917 0.70 PDE4A (0.56) FOLH1NAALAD2
SCHEMBL9263127 0.69 GABBR2 (0.39) GABBR2GABBR1FOLH1KDM4EMMP2
SCHEMBL28249230 0.69 LAP3 (0.42) GABBR2GABBR1FOLH1LAP3FDPS
SCHEMBL336109 0.67 GABBR2 (0.42) GABBR2GABBR1FOLH1LAP3PGK1
SCHEMBL27996625 0.67 GABBR2 (0.42) GABBR2GABBR1LAP3

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
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
EP-2320734-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2011-05-18 EP disclosed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 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-20120077781-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS GABBR2 3689/4885GABBR1 3417/4885FOLH1 595/4885

“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.