SCHEMBL6131609

SCHEMBL6131609

CC(C)(C)OC(=O)NCCC(CCO)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
EPHX1 P07099 1/20 0.46
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CTSK P43235 8/20 0.40
CTSS P25774 5/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
SYK P43405 1/20 0.39
ATM Q13315 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL3735437 0.90 CA1 (0.49) TDP1MEN1GAAKMT2ACA1
SCHEMBL29325753 0.89 MEN1 (0.53) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL12954841 0.89 MEN1 (0.53) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL29325735 0.84 MEN1 (0.51) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL21974034 0.84 MEN1 (0.51) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL12954774 0.84 MEN1 (0.51) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL24311830 0.83 TDP1 (0.49) TDP1MEN1GAAKMT2ACA1
SCHEMBL21660257 0.83 CTSK (0.49) TDP1CA1CA2CA7CTSK
SCHEMBL9191203 0.83 CTSK (0.49) TDP1CA1CA2CA7CTSK
SCHEMBL1557955 0.83 MEN1 (0.51) TDP1MEN1GAAKMT2AEPHX1

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-6958141-B2 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 2005-10-25 US disclosed
US-20040191174-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO SUISSE SA (CH) 2004-09-30 US disclosed
US-6699458-B2 CELL MEMBRANE PERMEABILITIES GREATER THAN THAT OF SUCROSE BRACCO INTERNATIONAL B.V. (NL) 2004-03-02 US disclosed
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY BRACCO SUISSE SA (CH) 2004-01-15 US disclosed
US-6184361-B1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 2001-02-06 US disclosed
US-5808091-A DIAGNOSTIC IMAGING AGENT BRACCO INTERNATIONAL B.V. 1998-09-15 US disclosed
US-5688487-A Diagnostic imaging methods using rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 1997-11-18 US disclosed
EP-0544412-B1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INT BV (NL) 1997-07-23 EP disclosed
EP-0544412-A2 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 1993-06-02 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-20040191174-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety HIF1A, HIF1AN, SLC2A8 TDP1 4023/4885MEN1 257/4885GAA 495/4885
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY HIF1A, HIF1AN, SLC2A8 TDP1 4023/4885MEN1 257/4885GAA 495/4885

“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.