SCHEMBL210383

SCHEMBL210383

O=S(=O)(Oc1cc2ccccc2nc1OS(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TLR8 Q9NR97 4/20 0.37
ALDH1A1 P00352 4/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 2/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
STAT3 P40763 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34

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
SCHEMBL12970127 0.85 CA1 (0.37) ALPLCA1CA2ALDH1A1GLA
SCHEMBL25430536 0.84 SLC22A12 (0.40) ALPLCA1CA2ALDH1A1GLA
SCHEMBL12375843 0.84 SMN1; SMN2 (0.51) ALPLCA1CA2TLR8ALDH1A1
SCHEMBL5262309 0.82 PDE10A (0.46) ALPLCA1CA2ALDH1A1KDM4E
SCHEMBL3252424 0.81 ALDH1A1 (0.45) ALPLCA1CA2ALDH1A1GLA
SCHEMBL22588406 0.79 ALPL (0.41) ALPLCA1CA2ALDH1A1GLA
SCHEMBL22579023 0.77 ALDH1A1 (0.39) ALPLCA1CA2ALDH1A1GLA
SCHEMBL27947614 0.77 KDM4E (0.42) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL27931226 0.77 ALDH1A1 (0.41) CA1CA2ALDH1A1KDM4EGAA
SCHEMBL17430088 0.76 HTT (0.37) ALPLCA1CA2TLR8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
US-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
EP-1590340-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2005-11-02 EP disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
US-20040142953-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2004-07-22 US disclosed
EP-1429765-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2004-06-23 EP disclosed
US-20040106599-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2004-06-03 US disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 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 (6 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 ALPL 3189/4885CA1 1896/4885CA2 1712/4885
US-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 ALPL 3189/4885CA1 1896/4885CA2 1712/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 ALPL 2522/4885CA1 2297/4885CA2 1511/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 ALPL 3189/4885CA1 1896/4885CA2 1712/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 ALPL 3189/4885CA1 1896/4885CA2 1712/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 ALPL 2326/4885CA1 2424/4885CA2 1478/4885

“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.