SCHEMBL10000467

SCHEMBL10000467

COC(=O)[C@H](CCP(=O)(O)C(O)c1cc(OC)c(O)c([N+](=O)[O-])c1)NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 16/20 0.61
GRM4 Q14833 16/20 0.61
GRM6 O15303 10/20 0.61
GRM7 Q14831 7/20 0.61
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
MCL1 Q07820 1/20 0.47
GSTP1 P09211 1/20 0.44
GSTM2 P28161 1/20 0.44
KYNU Q16719 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
SCHEMBL10000468 0.93 GRM8 (0.61) GRM8GRM4GRM6GRM7KDM4E
SCHEMBL346474 0.92 GRM8 (0.51) GRM8GRM4GRM6GRM7KDM4E
SCHEMBL346473 0.92 GRM8 (0.51) GRM8GRM4GRM6GRM7KDM4E
SCHEMBL10000469 0.92 GRM8 (0.55) GRM8GRM4GRM6GRM7KDM4E
SCHEMBL8240661 0.90 GRM8 (0.61) GRM8GRM4GRM6GRM7MEN1
SCHEMBL8238396 0.88 GRM8 (0.56) GRM8GRM4GRM6GRM7GSTP1
SCHEMBL4085127 0.86 GRM8 (0.58) GRM8GRM4GRM6GRM7ALDH1A1
SCHEMBL16460538 0.86 GRM8 (0.45) GRM8GRM4GRM6GRM7KDM4E
SCHEMBL13774905 0.86 GRM8 (0.52) GRM8GRM4GRM6ALDH1A1GSTP1
SCHEMBL13774887 0.85 GRM8 (0.57) GRM8GRM4GRM6GRM7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 US disclosed
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 US 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-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications P4HA1, CYP2R1, EGLN3 GRM8 1667/4885GRM4 1497/4885GRM6 1170/4885
US-20120016155-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES PTH1R, P4HA1, FGF23 GRM8 4160/4885GRM4 3644/4885GRM6 2596/4885

“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.