SCHEMBL5840460

SCHEMBL5840460

CC(C)(C)OC(=O)NCC(=O)NCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
ECE1 P42892 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
FAAH O00519 2/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
EPHX1 P07099 1/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 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
SCHEMBL5041833 0.88 MEN1 (0.51) MEN1KMT2AGAATDP1ECE1
SCHEMBL16909034 0.87 TDP1 (0.55) MEN1KMT2AGAATDP1MAOA
SCHEMBL156911 0.87 GAA (0.58) MEN1KMT2AGAATDP1ECE1
SCHEMBL12984159 0.86 TDP1 (0.54) MEN1KMT2AGAATDP1MAOA
Succinic Acid SCHEMBL29429364 0.85 GAA (0.56) MEN1KMT2AGAATDP1MAOA
SCHEMBL21834873 0.85 GAA (0.56) MEN1KMT2AGAATDP1ECE1
SCHEMBL23518259 0.85 CA2 (0.44) MEN1KMT2AGAATDP1MAOA
SCHEMBL19903765 0.85 MEN1 (0.40) MEN1KMT2AGAATDP1MAOA
SCHEMBL25327812 0.84 MEN1 (0.47) MEN1KMT2AGAATDP1MAOA
SCHEMBL999017 0.84 MEN1 (0.46) MEN1KMT2AGAATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233115-B2 Proteasome inhibitors and methods of using the same MILLENNIUM PHARMACEUTICALS INC. (US) 2016-01-12 US disclosed
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same CEPHALON, INC. (US) 2014-03-27 US disclosed
US-7135502-B1 Colchinol derivatives as vascular damaging agents ANGIOGENE PHARMACEUTICALS LTD. (GB) 2006-11-14 US disclosed
US-20060128633-A1 Colchinol derivatives as vascular damaging agents ANGIOGENE PHARMACEUTICALS LTD. 2006-06-15 US disclosed
EP-1140745-B1 COLCHINOL DERIVATIVES AS VASCULAR DAMAGING AGENTS ANGIOGENE PHARM LTD (GB) 2003-10-22 EP disclosed
EP-1140745-A1 COLCHINOL DERIVATIVES AS VASCULAR DAMAGING AGENTS Angiogene Pharmaceuticals Ltd (GB) 2001-10-10 EP disclosed
WO-2000040529-A1 COLCHINOL DERIVATIVES AS VASCULAR DAMAGING AGENTS ANGIOGENE PHARMACEUTICALS LTD. (GB) 2000-07-13 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 (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-20060128633-A1 Colchinol derivatives as vascular damaging agents NR1H3, NR1H2, NR1H4 MEN1 2714/4885KMT2A 3768/4885GAA 4483/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 MEN1 2324/4885KMT2A 2266/4885GAA 190/4885

“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.