SCHEMBL345272

SCHEMBL345272

COC(=O)C(CCP(=O)(O)Cc1cccc([N+](=O)[O-])c1)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.58
GRM6 O15303 1/20 0.58
GRM4 Q14833 1/20 0.58
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
KYNU Q16719 1/20 0.49
RAB9A P51151 1/20 0.46
CTSL P07711 7/20 0.46
GSTP1 P09211 1/20 0.45
GSTM2 P28161 1/20 0.45
CTSB P07858 3/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 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
SCHEMBL345271 1.00 GRM8 (0.58) GRM8GRM6GRM4HDAC1HDAC2
SCHEMBL371150 0.87 GRM4 (0.56) GRM8GRM6GRM4HDAC1HDAC2
SCHEMBL10000466 0.85 GRM8 (0.56) GRM8GRM6GRM4HDAC1HDAC2
SCHEMBL346779 0.85 GRM8 (0.54) GRM8GRM6GRM4HDAC1HDAC2
SCHEMBL346780 0.85 GRM8 (0.54) GRM8GRM6GRM4HDAC1HDAC2
SCHEMBL10027484 0.85 GRM8 (0.49) GRM8GRM6GRM4HDAC1HDAC2
SCHEMBL4091556 0.85 KYNU (0.51) KYNURAB9AALDH1A1ALOX15SIRT2
SCHEMBL369315 0.83 GRM4 (0.61) GRM8GRM6GRM4KYNUCTSL
SCHEMBL346781 0.82 HDAC1 (0.47) HDAC1HDAC2KYNURAB9ACTSL
SCHEMBL13774905 0.81 GRM8 (0.52) GRM8GRM6GRM4HDAC1HDAC2

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
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
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 4160/4885GRM6 2596/4885GRM4 3644/4885

“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.