SCHEMBL6131593

SCHEMBL6131593

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX1 P07099 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 9/20 0.39
CA2 P00918 9/20 0.39
CA12 O43570 7/20 0.39
CA9 Q16790 7/20 0.39
SYK P43405 1/20 0.37
CA7 P43166 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
MALT1 Q9UDY8 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
SCHEMBL29695615 0.92 CA1 (0.41) MEN1GAAKMT2ACA1CA2
SCHEMBL4852002 0.88 MEN1 (0.46) MEN1GAAKMT2AEPHX1TDP1
SCHEMBL4852013 0.88 MEN1 (0.46) MEN1GAAKMT2AEPHX1TDP1
SCHEMBL4852021 0.88 MEN1 (0.46) MEN1GAAKMT2AEPHX1TDP1
SCHEMBL15178984 0.85 SYK (0.41) MEN1GAAKMT2ACA1CA2
SCHEMBL4943500 0.85 CA1 (0.39) MEN1GAAKMT2ACA1CA2
SCHEMBL6333451 0.85 CA1 (0.39) MEN1GAAKMT2ACA1CA2
SCHEMBL18074469 0.85 SYK (0.41) MEN1GAAKMT2ACA1CA2
SCHEMBL4945179 0.85 CA1 (0.39) MEN1GAAKMT2ACA1CA2
SCHEMBL18648414 0.84 CTSK (0.47) CA1CA12CA7CTSSCTSK

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 11 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-20020054853-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO SUISSE SA (CH) 2002-05-09 US disclosed
US-6359120-B1 REACTING ALKYLENE DIAMINE WITH HALOKETONE TO PROVIDE AN ALKYLENE DIAMINEDIKETONE WHICH IS CONVERTED TO ALKYLENE DIAMINEDIOXIME; OR REACTING ALKYLENE DIAMINE WITH FIRST HALOKETONE AND REACTING WITH SECOND HALOKETONE BRACCO INTERNATIONAL B.V. (NL) 2002-03-19 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 (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-20020054853-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety HIF1A, HIF1AN, SLC2A8 MEN1 257/4885GAA 495/4885KMT2A 2657/4885
US-20040191174-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety HIF1A, HIF1AN, SLC2A8 MEN1 257/4885GAA 495/4885KMT2A 2657/4885
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY HIF1A, HIF1AN, SLC2A8 MEN1 257/4885GAA 495/4885KMT2A 2657/4885

“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.