SCHEMBL3660017

SCHEMBL3660017

O=C(O)c1cc(O)c2c(c1)C(=O)c1ccc(S(=O)(=O)O)c(O)c1C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 8/20 0.62
ALDH1A1 P00352 4/20 0.62
MAPT P10636 4/20 0.62
HPGD P15428 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
TDP1 Q9NUW8 3/20 0.62
FTO Q9C0B1 3/20 0.62
KDM4E B2RXH2 3/20 0.62
LMNA P02545 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
HSD17B10 Q99714 3/20 0.62
POLB P06746 2/20 0.62
CYP3A4 P08684 2/20 0.62
RECQL P46063 2/20 0.62
HSP90AA1 P07900 2/20 0.62
HSP90AB1 P08238 2/20 0.62
CASP7 P55210 2/20 0.62
TSHR P16473 2/20 0.62
HIF1A Q16665 2/20 0.62

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
SCHEMBL3660785 0.99 TTR (0.60) TTRALDH1A1MAPTHPGDMEN1
SCHEMBL15799958 0.88 MEN1 (0.47) TTRALDH1A1MAPTHPGDMEN1
SCHEMBL8996372 0.81 TTR (0.65) TTRALDH1A1MAPTHPGDMEN1
SCHEMBL6901828 0.81 PGAM1 (0.51) TTRALDH1A1MAPTHPGDMEN1
SCHEMBL16950304 0.79 PGAM1 (0.50) TTRALDH1A1MAPTHPGDMEN1
SCHEMBL18048116 0.78 ALDH1A1 (0.71) TTRALDH1A1MAPTHPGDMEN1
SCHEMBL17038035 0.77 MAOA (0.65) TTRALDH1A1MAPTHPGDMEN1
Rhein SCHEMBL29404324 0.77 ALDH1A1 (1.00) TTRALDH1A1MAPTHPGDMEN1
Rhein SCHEMBL25253 0.77 ALDH1A1 (1.00) TTRALDH1A1MAPTHPGDMEN1
SCHEMBL3660783 0.76 PKLR (0.46) TTRALDH1A1MAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011636-A1 METHOD FOR TREATMENT OF DISEASES WITH DIOXOANTHRACENE SULPHONATE DERIVATIVES LABORATOIRE MEDIDOM SA (CH) 2015-01-08 US disclosed
US-20150011636-A1 METHOD FOR TREATMENT OF DISEASES WITH DIOXOANTHRACENE SULPHONATE DERIVATIVES LABORATOIRE MEDIDOM SA (CH) 2015-01-08 US disclosed
US-20150011636-A1 METHOD FOR TREATMENT OF DISEASES WITH DIOXOANTHRACENE SULPHONATE DERIVATIVES LABORATOIRE MEDIDOM SA (CH) 2015-01-08 US disclosed
US-8754128-B2 Dioxoanthracene sulphonate derivatives LABORATOIRE MEDIDOM SA (CH) 2014-06-17 US disclosed
US-8754128-B2 Dioxoanthracene sulphonate derivatives LABORATOIRE MEDIDOM SA (CH) 2014-06-17 US disclosed
US-8754128-B2 Dioxoanthracene sulphonate derivatives LABORATOIRE MEDIDOM SA (CH) 2014-06-17 US disclosed
EP-2220036-B1 DIOXOANTHRACENE SULPHONATE DERIVATIVES MEDIDOM LAB (CH) 2012-12-26 EP disclosed
US-20110054032-A1 DIOXOANTHRACENE SULPHONATE DERIVATIVES LABORATOIRE MEDIDOM SA (CH) 2011-03-03 US disclosed
US-20110054032-A1 DIOXOANTHRACENE SULPHONATE DERIVATIVES LABORATOIRE MEDIDOM SA (CH) 2011-03-03 US disclosed
US-20110054032-A1 DIOXOANTHRACENE SULPHONATE DERIVATIVES LABORATOIRE MEDIDOM SA (CH) 2011-03-03 US disclosed
EP-2220036-A1 DIOXOANTHRACENE SULPHONATE DERIVATIVES LABORATOIRE MEDIDOM S.A. (CH) 2010-08-25 EP disclosed
WO-2009063427-A1 DIOXOANTHRACENE SULPHONATE DERIVATIVES LABORATOIRE MEDIDOM S.A. (CH) 2009-05-22 WO disclosed
EP-2060562-A1 Dioxoanthracene sulphonate derivatives LABORATOIRE MEDIDOM S.A. (CH) 2009-05-20 EP disclosed
EP-2060562-A1 Dioxoanthracene sulphonate derivatives LABORATOIRE MEDIDOM S.A. (CH) 2009-05-20 EP 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 (2 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-20110054032-A1 DIOXOANTHRACENE SULPHONATE DERIVATIVES DECR1, SUCNR1, RELA TTR 3903/4885ALDH1A1 1157/4885MAPT 4641/4885
US-20150011636-A1 METHOD FOR TREATMENT OF DISEASES WITH DIOXOANTHRACENE SULPHONATE DERIVATIVES DECR1, GRHPR, DECR2 TTR 1552/4885ALDH1A1 1003/4885MAPT 4615/4885

“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.