SCHEMBL13858658

SCHEMBL13858658

CCOC(=O)COc1ccc(CP(=O)(O)CCC(NC(=O)OCc2ccccc2)C(=O)OC)cc1OC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KYNU Q16719 1/20 0.41
CASP1 P29466 2/20 0.38
SIRT2 Q8IXJ6 2/20 0.38
SIRT1 Q96EB6 2/20 0.38
SIRT3 Q9NTG7 1/20 0.38
PTPN1 P18031 1/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
HSD17B10 Q99714 1/20 0.36
P2RX7 Q99572 1/20 0.36
MBOAT4 Q96T53 1/20 0.35

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
SCHEMBL13858917 0.91 MEN1 (0.51) MEN1KMT2ASMN1; SMN2KYNUCASP1
SCHEMBL13858793 0.90 KYNU (0.41) MEN1KMT2ASMN1; SMN2KYNUCASP1
SCHEMBL13858844 0.87 KYNU (0.40) MEN1KMT2ASMN1; SMN2KYNUCASP1
SCHEMBL13858807 0.85 GSTP1 (0.43) MEN1KMT2ASMN1; SMN2KYNUCASP1
SCHEMBL13858889 0.82 MEN1 (0.42) MEN1KMT2ASMN1; SMN2KYNUCASP1
SCHEMBL13858713 0.81 KMT2A (0.42) MEN1KMT2ASMN1; SMN2KYNUCASP1
SCHEMBL16460078 0.79 KYNU (0.44) MEN1KMT2ASMN1; SMN2KYNUCASP1
SCHEMBL13858532 0.78 KYNU (0.40) MEN1KMT2ASMN1; SMN2KYNUCASP1
SCHEMBL13858436 0.78 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2KYNUCASP1
SCHEMBL13858835 0.77 KYNU (0.49) KYNUSIRT2SIRT1SIRT3ALDH1A1

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 MEN1 3279/4885KMT2A 3310/4885SMN1; SMN2 2789/4885

“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.