SCHEMBL3133545

SCHEMBL3133545

CS(=O)(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HSPB1 P04792 1/20 0.52
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
RAB9A P51151 3/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 4/20 0.44
HTT P42858 3/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.42
MAOB P27338 1/20 0.41
CYP19A1 P11511 3/20 0.40

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
SCHEMBL1827937 0.80 IDO1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL4597944 0.79 GAA (0.62) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL3133376 0.79 GAA (0.62) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL27683465 0.77 HSPB1 (0.57) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL20932230 0.77 HSPB1 (0.82) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL3143148 0.77 L3MBTL1 (0.70) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL19435012 0.77 HSPB1 (0.68) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL29504580 0.77 HSPB1 (0.68) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL3143611 0.76 MAPT (0.68) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL620049 0.74 HSPB1 (0.64) GAAL3MBTL1HSPB1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 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 (3 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 GAA 4225/4885L3MBTL1 502/4885HSPB1 3924/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 GAA 3133/4885L3MBTL1 533/4885HSPB1 2071/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 GAA 3249/4885L3MBTL1 1465/4885HSPB1 1573/4885

“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.