SCHEMBL4759987

SCHEMBL4759987

CC(C)(C)OC(=O)NCCC(CCC(N)C(=O)O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
GAA P10253 1/20 0.68
KMT2A Q03164 1/20 0.68
SLC1A1 P43005 6/20 0.43
SLC1A3 P43003 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SLC1A2 P43004 4/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
EPHX1 P07099 1/20 0.37
GRIK1 P39086 3/20 0.36
GRIK2 Q13002 3/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL352610 0.89 MEN1 (0.63) MEN1GAAKMT2ASLC1A1SLC1A3
SCHEMBL18394313 0.89 MEN1 (0.63) MEN1GAAKMT2ASLC1A1SLC1A3
SCHEMBL3916161 0.89 MEN1 (0.63) MEN1GAAKMT2ASLC1A1SLC1A3
SCHEMBL4884141 0.88 MEN1 (0.63) MEN1GAAKMT2ASLC1A1SLC1A3
Hydrochloric Acid SCHEMBL4433195 0.88 MEN1 (0.61) MEN1GAAKMT2ASLC1A1SLC1A3
SCHEMBL12395380 0.83 MEN1 (0.73) MEN1GAAKMT2ATDP1MAOA
SCHEMBL7195305 0.83 MEN1 (0.73) MEN1GAAKMT2ATDP1MAOA
SCHEMBL12463276 0.83 MEN1 (0.73) MEN1GAAKMT2ATDP1MAOA
Hydrochloric Acid SCHEMBL25167231 0.82 MEN1 (0.71) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3603914 0.82 MEN1 (0.67) MEN1GAAKMT2ATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537089-A4 COMPOUNDS COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2008-04-16 EP disclosed
US-20080021050-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2008-01-24 US disclosed
US-7211580-B2 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2007-05-01 US disclosed
EP-1537089-A2 COMPOUNDS COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2005-06-08 EP disclosed
US-20040142949-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2004-07-22 US disclosed
WO-2004009036-A2 COMPOUNDS COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-01-29 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-20080021050-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 MEN1 1449/4885GAA 314/4885KMT2A 1458/4885
US-20040142949-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 MEN1 1449/4885GAA 314/4885KMT2A 1458/4885

“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.