SCHEMBL3458070

SCHEMBL3458070

CC(C)(C)OC(=O)NCS(=O)(=O)ONC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CA1 P00915 11/20 0.40
CA2 P00918 11/20 0.40
CA12 O43570 9/20 0.40
CA9 Q16790 7/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CA14 Q9ULX7 2/20 0.39
CA7 P43166 1/20 0.39
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL28301926 0.83 CA12 (0.46) TDP1MAOAMAOBCA1CA2
SCHEMBL28038096 0.79 CA1 (0.46) TDP1MAOAMAOBCA1CA2
SCHEMBL28432121 0.77 MEN1 (0.42) TDP1MAOAMAOBCA1CA2
SCHEMBL28430499 0.77 CA12 (0.41) TDP1CA1CA2CA12CA9
SCHEMBL18343872 0.76 CA12 (0.44) TDP1MAOAMAOBCA1CA2
SCHEMBL18343870 0.76 CA12 (0.44) TDP1MAOAMAOBCA1CA2
SCHEMBL30738873 0.76 TDP1 (0.46) TDP1MAOAMAOBCA1CA2
SCHEMBL28314960 0.75 CA12 (0.41) TDP1MAOAMAOBCA1CA2
SCHEMBL30745146 0.75 CA12 (0.43) TDP1MAOAMAOBCA1CA2
SCHEMBL28520649 0.73 CA12 (0.42) TDP1MAOAMAOBCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266954-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues Draximage, Inc. (CA) 2010-12-29 EP disclosed
EP-2266953-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues Draximage, Inc. (CA) 2010-12-29 EP disclosed
US-7238339-B2 Bifunctional chelating compounds containing hydroxamic acid residues DRAXIS SPECIALTY PHARMACEUTICALS INC. (CA) 2007-07-03 US disclosed
US-20040086460-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues JUBILANT DRAXIMAGE INC. (CA) 2004-05-06 US disclosed
EP-1351926-A2 NOVEL BIFUNCTIONAL CHELATING COMPOUNDS CONTAINING HYDROXAMIC ACID RESIDUES Draximage, Inc. (CA) 2003-10-15 EP disclosed
US-6623721-B2 Conjugates can be complexed to a radioisotope metallic element and used for diagnosing or treating receptor-positive tumors DRAXIMAGE, INC. (CA) 2003-09-23 US disclosed
WO-2002068379-A2 NOVEL BIFUNCTIONAL CHELATING COMPOUNDS CONTAINING HYDROXAMIC ACID RESIDUES DRAXIMAGE, INC. (CA) 2002-09-06 WO disclosed
US-20020076377-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues JUBILANT DRAXIMAGE INC. (CA) 2002-06-20 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 (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-20020076377-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues EPRS1, HAMP, PHPT1 TDP1 2810/4885MAOA 2011/4885MAOB 2665/4885
US-20040086460-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues EPRS1, HAMP, PHPT1 TDP1 2810/4885MAOA 2011/4885MAOB 2665/4885

“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.