SCHEMBL13858835

SCHEMBL13858835

CCOC(=O)CNc1ccc(CP(=O)(O)CCC(NC(=O)OCc2ccccc2)C(=O)OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.49
SIRT2 Q8IXJ6 2/20 0.44
SIRT1 Q96EB6 2/20 0.44
SIRT3 Q9NTG7 1/20 0.43
CTSK P43235 8/20 0.42
CTSS P25774 4/20 0.41
CTSL P07711 4/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
F2 P00734 1/20 0.40
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL13858853 0.85 CASP1 (0.50) KYNUSIRT2SIRT1SIRT3CTSK
SCHEMBL4092001 0.84 KYNU (0.54) KYNUSIRT2SIRT1SIRT3CTSK
SCHEMBL4090254 0.83 KYNU (0.53) KYNUSIRT2SIRT1SIRT3CTSK
SCHEMBL16460413 0.81 KYNU (0.50) KYNUCTSKALDH1A1ALOX15F2
SCHEMBL4090590 0.81 KYNU (0.53) KYNUSIRT2SIRT1SIRT3CTSK
SCHEMBL13858917 0.80 MEN1 (0.51) KYNUSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL8239066 0.78 KYNU (0.53) KYNUSIRT2SIRT1SIRT3CTSK
SCHEMBL13858793 0.78 KYNU (0.41) KYNUSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL13858658 0.77 MEN1 (0.43) KYNUSIRT2SIRT1SIRT3ALDH1A1
SCHEMBL13858807 0.77 GSTP1 (0.43) KYNUSIRT2SIRT1SIRT3CTSL

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 KYNU 1692/4885SIRT2 2094/4885SIRT1 2667/4885

“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.