SCHEMBL13858941

SCHEMBL13858941

CCOC(=O)CSc1ccc(CP(=O)(O)CCC(NC(=O)OCc2ccccc2)C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.50
GSTM2 P28161 1/20 0.50
KYNU Q16719 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GRM4 Q14833 3/20 0.39
POLB P06746 1/20 0.39
CASP1 P29466 1/20 0.38
GRM8 O00222 2/20 0.38
GRM6 O15303 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.37
SIRT1 Q96EB6 2/20 0.37
SIRT3 Q9NTG7 1/20 0.37
CTSL P07711 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37

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
SCHEMBL13858807 0.86 GSTP1 (0.43) GSTP1GSTM2KYNUALDH1A1GRM4
SCHEMBL371150 0.84 GRM4 (0.56) GSTP1GSTM2KYNUALDH1A1MAPT
SCHEMBL13858853 0.84 CASP1 (0.50) GSTP1GSTM2KYNUALDH1A1CASP1
SCHEMBL345271 0.81 GRM8 (0.58) GSTP1GSTM2KYNUALDH1A1GRM4
SCHEMBL345272 0.81 GRM8 (0.58) GSTP1GSTM2KYNUALDH1A1GRM4
SCHEMBL369315 0.79 GRM4 (0.61) GSTP1GSTM2KYNUALDH1A1MAPT
SCHEMBL13858835 0.77 KYNU (0.49) KYNUALDH1A1SIRT2SIRT1SIRT3
SCHEMBL13858917 0.77 MEN1 (0.51) KYNUALDH1A1MAPTGAACASP1
SCHEMBL4092001 0.77 KYNU (0.54) KYNUALDH1A1SIRT2SIRT1SIRT3
SCHEMBL4090254 0.76 KYNU (0.53) KYNUALDH1A1POLBCASP1SIRT2

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
US-9212196-B2 Hypophosphorous acid derivatives having antihyperalgic activity and biological applications thereof UNIVERSITE PARIS DESCARTES (FR) 2015-12-15 US disclosed
US-20140107078-A1 HYPOPHOSPHOROUS ACID DERIVATIVES HAVING ANTIHYPERALGIC ACTIVITY AND BIOLOGICAL APPLICATIONS THEREOF UNIVWESITE D"AUVERGNE (FR) 2014-04-17 US disclosed
WO-2012156931-A1 HYPOPHOSPHOROUS ACID DERIVATIVES HAVING ANTIHYPERALGIC ACTIVITY AND BIOLOGICAL APPLICATIONS THEREOF UNIVERSITE PARIS DESCARTES (FR) 2012-11-22 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-20140107078-A1 HYPOPHOSPHOROUS ACID DERIVATIVES HAVING ANTIHYPERALGIC ACTIVITY AND BIOLOGICAL APPLICATIONS THEREOF HCAR3, HRH3, SSTR3 GSTP1 2988/4885GSTM2 3651/4885KYNU 1692/4885

“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.