SCHEMBL4674386

SCHEMBL4674386

O=S(=O)(O)c1ccc2[nH]c([Na])nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.46
ENPP2 Q13822 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 3/20 0.38
THRB P10828 2/20 0.38
BLM P54132 2/20 0.38
MEN1 O00255 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 4/20 0.38
F2 P00734 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PTGS1 P23219 1/20 0.38
KDR P35968 1/20 0.38
WRN Q14191 1/20 0.38
PTPN11 Q06124 5/20 0.37
HSD17B10 Q99714 4/20 0.36

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
SCHEMBL828238 0.83 HDAC6 (0.59) HDAC6ENPP2L3MBTL1TDP1THRB
SCHEMBL6027004 0.80 ALDH1A1 (0.46) HDAC6ENPP2L3MBTL1TDP1THRB
SCHEMBL1160168 0.80 HDAC6 (0.46) HDAC6ENPP2L3MBTL1TDP1THRB
SCHEMBL4318643 0.80 HDAC6 (0.46) HDAC6ENPP2L3MBTL1TDP1THRB
SCHEMBL12754678 0.80 HDAC6 (0.46) HDAC6ENPP2L3MBTL1TDP1THRB
SCHEMBL2817420 0.79 HDAC6 (0.44) HDAC6ENPP2L3MBTL1TDP1THRB
SCHEMBL10770660 0.79 LMNA (0.45) HDAC6ENPP2L3MBTL1APEX1KMT2A
SCHEMBL318730 0.79 HDAC6 (0.67) HDAC6ENPP2
Water SCHEMBL28362650 0.79 HDAC6 (0.44) HDAC6ENPP2L3MBTL1TDP1THRB
Water SCHEMBL28362573 0.78 HDAC6 (0.43) HDAC6ENPP2L3MBTL1TDP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392639-B1 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2008-09-17 EP disclosed
EP-1392639-A4 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2006-01-25 EP disclosed
US-6916850-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-6900218-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
EP-1392639-A1 PYRUVATE DERIVATIVES Galileo Laboratories, Inc. (US) 2004-03-03 EP disclosed
US-20030013656-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013846-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013847-A1 Cytoprotective agents MONSANTO TECHNOLOGY LLC 2003-01-16 US disclosed
US-20030013657-A1 Pyruvate derivatives MONSANTO TECHNOLOGY, LLC. 2003-01-16 US disclosed
WO-2002090314-A1 PYRUVATE DERIVATIVES GALILEO LABORATORIES, INC. (US) 2002-11-14 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 (4 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-20030013847-A1 Cytoprotective agents PC, PDK1, PDK2 HDAC6 694/4885ENPP2 2246/4885L3MBTL1 473/4885
US-20030013657-A1 Pyruvate derivatives PC, PDK1, PDK4 HDAC6 1208/4885ENPP2 2763/4885L3MBTL1 430/4885
US-20030013846-A1 Pyruvate derivatives PC, PDK1, PDK4 HDAC6 1208/4885ENPP2 2763/4885L3MBTL1 430/4885
US-20030013656-A1 Pyruvate derivatives PC, PDK1, PDK4 HDAC6 1208/4885ENPP2 2763/4885L3MBTL1 430/4885

“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.