SCHEMBL1315787

SCHEMBL1315787

COC(=O)c1ccn(-c2ccc(O)cc2O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
PDK2 Q15119 2/20 0.47
PDK4 Q16654 2/20 0.47
MAPT P10636 3/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 3/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39

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
SCHEMBL12117129 0.89 ALDH1A1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL12117002 0.82 MAPT (0.40) MAPTALDH1A1KDM4ERAB9AGAA
SCHEMBL17005447 0.77 GAA (0.48) MAPTALDH1A1KDM4ERAB9AGAA
SCHEMBL1316185 0.75 SMN1; SMN2 (0.48) MAPTALDH1A1KDM4ERAB9AGAA
SCHEMBL28802244 0.74 ALDH1A1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL25257607 0.74 MAPT (0.48) MAPTALDH1A1KDM4ERAB9AGAA
SCHEMBL16330862 0.72 GAA (0.43) CA12CA1CA2CA9MAPT
SCHEMBL13832650 0.71 GAA (0.66) MAPTALDH1A1KDM4ERAB9AGAA
SCHEMBL12117003 0.70 PIK3CA (0.39)
SCHEMBL30630683 0.70 MAPT (0.40) MAPTALDH1A1KDM4ERAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150259306-A1 DESAZADESFERROTHIOCIN ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES INC (US) 2015-09-17 US disclosed
US-20150259306-A1 DESAZADESFERROTHIOCIN ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES INC (US) 2015-09-17 US disclosed
US-20150259306-A1 DESAZADESFERROTHIOCIN ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES INC (US) 2015-09-17 US disclosed
US-9045440-B2 Desazadesferrothiocin and desazadesferrothiocin polyether analogues as metal chelation agents FERROKIN BIOSCIENCES, INC. (US) 2015-06-02 US disclosed
US-9045440-B2 Desazadesferrothiocin and desazadesferrothiocin polyether analogues as metal chelation agents FERROKIN BIOSCIENCES, INC. (US) 2015-06-02 US disclosed
US-9045440-B2 Desazadesferrothiocin and desazadesferrothiocin polyether analogues as metal chelation agents FERROKIN BIOSCIENCES, INC. (US) 2015-06-02 US disclosed
EP-2566854-A2 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS Shire LLC (US) 2013-03-13 EP disclosed
US-20130053387-A1 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FerroKin BioScience, Inc. (US) 2013-02-28 US disclosed
US-20130053387-A1 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FerroKin BioScience, Inc. (US) 2013-02-28 US disclosed
US-20130053387-A1 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FerroKin BioScience, Inc. (US) 2013-02-28 US disclosed
WO-2011140232-A2 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC (US) 2011-11-10 WO disclosed
WO-2011140232-A2 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC (US) 2011-11-10 WO disclosed
US-20110275636-A1 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275636-A1 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275636-A1 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC. (US) 2011-11-10 US 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-20110275636-A1 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS SLC39A14, SLC40A1, FTH1 CA12 1737/4885CA1 2683/4885CA2 2273/4885
US-20130053387-A1 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS SLC39A14, SLC40A1, FTH1 CA12 1737/4885CA1 2683/4885CA2 2273/4885
US-20150259306-A1 DESAZADESFERROTHIOCIN ANALOGUES AS METAL CHELATION AGENTS SLC40A1, SLC39A14, HAMP CA12 1880/4885CA1 2847/4885CA2 2168/4885

“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.