SCHEMBL13774904

SCHEMBL13774904

COC(=O)[C@H](CCP(=O)(O)C(O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-])NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 2/20 0.55
GRM4 Q14833 2/20 0.55
GSTP1 P09211 1/20 0.49
GSTM2 P28161 1/20 0.49
KYNU Q16719 1/20 0.49
CTSL P07711 8/20 0.43
CTSB P07858 7/20 0.43
ALDH1A1 P00352 2/20 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
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 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
SCHEMBL13774897 0.90 GRM8 (0.57) GRM8GRM4GSTP1GSTM2KYNU
SCHEMBL13774896 0.86 GRM8 (0.53) GRM8GRM4GSTP1GSTM2KYNU
SCHEMBL13774966 0.86 GRM8 (0.53) GRM8GRM4GSTP1GSTM2KYNU
SCHEMBL4085127 0.86 GRM8 (0.58) GRM8GRM4GSTP1GSTM2KYNU
SCHEMBL8241361 0.86 GRM8 (0.56) GRM8GRM4GSTP1GSTM2KYNU
SCHEMBL8238396 0.86 GRM8 (0.56) GRM8GRM4GSTP1GSTM2KYNU
SCHEMBL8232951 0.85 GRM8 (0.55) GRM8GRM4GSTP1GSTM2KYNU
SCHEMBL10000466 0.85 GRM8 (0.56) GRM8GRM4GSTP1GSTM2KYNU
SCHEMBL13774905 0.85 GRM8 (0.52) GRM8GRM4GSTP1GSTM2KYNU
SCHEMBL4092884 0.85 GRM8 (0.57) GRM8GRM4GSTP1GSTM2KYNU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications P4HA1, CYP2R1, EGLN3 GRM8 1667/4885GRM4 1497/4885GSTP1 3453/4885

“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.