SCHEMBL346779

SCHEMBL346779

COC(=O)[C@H](CCP(=O)(O)C(NC(=O)OCc1ccccc1)c1cccc([N+](=O)[O-])c1)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 9/20 0.54
GRM4 Q14833 9/20 0.54
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
KYNU Q16719 1/20 0.46
CTSL P07711 4/20 0.45
GRM6 O15303 3/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 1/20 0.43
GSTP1 P09211 1/20 0.43
GSTM2 P28161 1/20 0.43

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
SCHEMBL346780 1.00 GRM8 (0.54) GRM8GRM4HDAC1HDAC2KYNU
SCHEMBL10000466 0.91 GRM8 (0.56) GRM8GRM4HDAC1HDAC2KYNU
SCHEMBL13774905 0.86 GRM8 (0.52) GRM8GRM4HDAC1HDAC2KYNU
SCHEMBL345271 0.85 GRM8 (0.58) GRM8GRM4HDAC1HDAC2KYNU
SCHEMBL345272 0.85 GRM8 (0.58) GRM8GRM4HDAC1HDAC2KYNU
SCHEMBL8239241 0.84 GRM8 (0.61) GRM8GRM4HDAC1HDAC2CTSL
SCHEMBL13774966 0.83 GRM8 (0.53) GRM8GRM4HDAC1HDAC2KYNU
SCHEMBL13774896 0.83 GRM8 (0.53) GRM8GRM4HDAC1HDAC2KYNU
SCHEMBL346473 0.82 GRM8 (0.51) GRM8GRM4KYNUCTSLGRM6
SCHEMBL346474 0.82 GRM8 (0.51) GRM8GRM4KYNUCTSLGRM6

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
EP-2408789-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES Centre National De La Recherche Scientifique CNRS (FR) 2012-01-25 EP disclosed
US-20120016155-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-01-19 US disclosed
US-20120016155-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-01-19 US disclosed
US-20120016155-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-01-19 US disclosed
WO-2010106526-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-09-23 WO disclosed
WO-2010106526-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 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-20120016155-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES PTH1R, P4HA1, FGF23 GRM8 4160/4885GRM4 3644/4885HDAC1 1441/4885

“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.