SCHEMBL346781

SCHEMBL346781

COC(=O)[C@H](CCP(=O)(CNC(=O)OCc1ccccc1)Oc1cccc([N+](=O)[O-])c1)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
KYNU Q16719 1/20 0.45
RAB9A P51151 1/20 0.44
ELANE P08246 2/20 0.42
PRTN3 P24158 2/20 0.42
CTSL P07711 3/20 0.42
GSTP1 P09211 1/20 0.42
GSTM2 P28161 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41

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
SCHEMBL56584 0.86 HDAC1 (0.52) HDAC1HDAC2KYNURAB9AELANE
SCHEMBL346475 0.83 MEN1 (0.46) KYNURAB9AELANEPRTN3CTSL
SCHEMBL345272 0.82 GRM8 (0.58) HDAC1HDAC2KYNURAB9ACTSL
SCHEMBL345271 0.82 GRM8 (0.58) HDAC1HDAC2KYNURAB9ACTSL
SCHEMBL10000466 0.81 GRM8 (0.56) HDAC1HDAC2KYNURAB9ACTSL
SCHEMBL346780 0.79 GRM8 (0.54) HDAC1HDAC2KYNURAB9ACTSL
SCHEMBL346779 0.79 GRM8 (0.54) HDAC1HDAC2KYNURAB9ACTSL
SCHEMBL56268 0.77 HDAC1 (0.54) HDAC1HDAC2ELANEPRTN3CTSL
SCHEMBL56740 0.76 HDAC1 (0.50) HDAC1HDAC2KYNUELANEPRTN3
SCHEMBL13774905 0.76 GRM8 (0.52) HDAC1HDAC2KYNUCTSLGSTP1

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 HDAC1 1441/4885HDAC2 1369/4885KYNU 1051/4885

“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.