SCHEMBL14630656

SCHEMBL14630656

CC(C)(C)OC(=O)NCCCC(C(=O)O)C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.81
GAA P10253 1/20 0.81
KMT2A Q03164 1/20 0.81
TDP1 Q9NUW8 2/20 0.59
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
CA1 P00915 7/20 0.49
CA2 P00918 7/20 0.49
CA12 O43570 6/20 0.49
CA9 Q16790 6/20 0.49
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
EPHX1 P07099 1/20 0.42
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL9327481 0.95 MEN1 (0.73) MEN1GAAKMT2ATDP1MAOA
SCHEMBL10639200 0.93 MEN1 (0.71) MEN1GAAKMT2ATDP1MAOA
SCHEMBL14630990 0.90 MEN1 (0.71) MEN1GAAKMT2ATDP1MAOA
SCHEMBL28951028 0.89 MEN1 (0.69) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4478961 0.88 MEN1 (0.68) MEN1GAAKMT2ATDP1MAOA
SCHEMBL23417829 0.86 MEN1 (0.76) MEN1GAAKMT2ATDP1MAOA
SCHEMBL15082199 0.86 MEN1 (0.76) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4820803 0.86 MEN1 (0.76) MEN1GAAKMT2ATDP1MAOA
SCHEMBL12571330 0.86 MEN1 (0.76) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4820814 0.86 MEN1 (0.76) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105801489-B Cycloalkyl-substituted imidazole derivatives 第一三共株式会社 2019-12-10 CN disclosed
EP-2548871-B1 CYCLOALKYL-SUBSTITUTED IMIDAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2017-07-19 EP disclosed
US-9340531-B2 Cycloalkyl-substituted imidazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-05-17 US disclosed
US-20140178349-A1 Cycloalkyl-Substituted Imidazole Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-06-26 US disclosed
US-8609710-B2 Cycloalkyl-substituted imidazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-12-17 US disclosed
US-20130230501-A9 Cycloalkyl-Substituted Imidazole Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-05 US disclosed
US-20130022587-A1 Cycloalkyl-Substituted Imidazole Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-24 US disclosed
EP-2548871-A1 CYCLOALKYL-SUBSTITUTED IMIDAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-23 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-20130022587-A1 Cycloalkyl-Substituted Imidazole Derivative F7, F12, TFPI MEN1 3430/4885GAA 4003/4885KMT2A 2711/4885
US-20130230501-A9 Cycloalkyl-Substituted Imidazole Derivative F7, F12, TFPI MEN1 3430/4885GAA 4003/4885KMT2A 2711/4885
US-20140178349-A1 Cycloalkyl-Substituted Imidazole Derivative F7, F12, TFPI MEN1 3430/4885GAA 4003/4885KMT2A 2711/4885

“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.