SCHEMBL669227

SCHEMBL669227

Cc1ccc(S(=O)(=O)C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(O)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
MMP2 P08253 3/20 0.45
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
AGER Q15109 1/20 0.44
TLR9 Q9NR96 1/20 0.43
MAPT P10636 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8959293 0.98 GAA (0.50) GAACA1CA2MMP2MMP1
SCHEMBL16617543 0.90 GAA (0.46) GAACA1CA2MMP2MMP1
SCHEMBL30121315 0.89 GAA (0.54) GAACA1CA2MMP2MMP1
SCHEMBL20774219 0.88 TLR9 (0.39) GAACA1CA2MMP2MMP1
SCHEMBL10728925 0.88 DNMT1 (0.40) GAACA1CA2MMP2MMP1
SCHEMBL20774220 0.88 TLR9 (0.39) GAACA1CA2MMP2MMP1
SCHEMBL29771132 0.88 TDP1 (0.39) GAACA1CA2MMP2MMP1
SCHEMBL11002709 0.86 TLR9 (0.40) GAACA1CA2MMP2MMP1
SCHEMBL10734402 0.85 ALDH1A1 (0.37) GAACA1CA2MMP2MMP1
SCHEMBL10728594 0.85 ALDH1A1 (0.37) GAACA1CA2MMP2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921585-B2 Method of synthesis of substituted hexitols such as dianhydrogalactitol DEL MAR PHARMACEUTICALS (CA) 2014-12-30 US claimed
EP-2606020-B1 METHOD OF SYNTHESIS OF SUBSTITUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL DEL MAR PHARMACEUTICALS (CA) 2018-12-26 EP disclosed
US-9630938-B2 Method of synthesis of substituted hexitols such as dianhydrogalactitol DELMAR PHARMACEUTICALS, INC. (CA) 2017-04-25 US disclosed
US-20150329511-A1 METHOD OF SYNTHESIS OF SUBSTITUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2015-11-19 US disclosed
US-9085544-B2 Method of synthesis of substituted hexitols such as dianhydrogalactitol DEL MAR PHARMACEUTICALS (CA) 2015-07-21 US disclosed
US-8921585-B2 Method of synthesis of substituted hexitols such as dianhydrogalactitol DEL MAR PHARMACEUTICALS (CA) 2014-12-30 US disclosed
US-20140155638-A1 METHOD OF SYNTHESIS OF SUBSTITUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2014-06-05 US disclosed
US-20140066642-A1 METHOD OF SYNTHESIS OF SUBSTITUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL DEL MAR PHARMACEUTICALS (CA) 2014-03-06 US disclosed
US-8563758-B2 Method of synthesis of substituted hexitols such as dianhydrogalactitol DEL MAR PHARMACEUTICALS (CA) 2013-10-22 US disclosed
US-20130211111-A1 METHOD OF SYNTHESIS OF SUBSTISTUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL DEL MAR PHARMACEUTICALS (CA) 2013-08-15 US disclosed
EP-2606020-A2 METHOD OF SYNTHESIS OF SUBSTITUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL Del Mar Pharmaceuticals (CA) 2013-06-26 EP disclosed
WO-2012024368-A2 METHOD OF SYNTHESIS OF SUBSTITUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL DEL MAR PHARMACEUTICALS (CA) 2012-02-23 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-20140155638-A1 METHOD OF SYNTHESIS OF SUBSTITUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL DDOST, DAD1, KRTCAP2 GAA 827/4885CA1 202/4885CA2 150/4885
US-20140066642-A1 METHOD OF SYNTHESIS OF SUBSTITUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL DDOST, DAD1, KRTCAP2 GAA 827/4885CA1 202/4885CA2 150/4885
US-20150329511-A1 METHOD OF SYNTHESIS OF SUBSTITUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL DDOST, DAD1, KRTCAP2 GAA 827/4885CA1 202/4885CA2 150/4885
US-20130211111-A1 METHOD OF SYNTHESIS OF SUBSTISTUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL DDOST, DAD1, AGL GAA 947/4885CA1 170/4885CA2 288/4885

“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.