SCHEMBL8374138

SCHEMBL8374138

CC(C)(C)OC(=O)NOCCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 6/20 0.36
CA2 P00918 5/20 0.36
CA7 P43166 3/20 0.36
CTSK P43235 4/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CA12 O43570 6/20 0.34
CA14 Q9ULX7 3/20 0.34
CA9 Q16790 3/20 0.34
CTSS P25774 2/20 0.34
APLNR P35414 1/20 0.34
LMNA P02545 1/20 0.33
SLC15A2 Q16348 1/20 0.33

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
SCHEMBL19406683 0.90 MEN1 (0.35) MEN1GAAKMT2ATDP1CA1
SCHEMBL5490052 0.86 ALDH1A1 (0.47) MEN1KMT2ATDP1CA1CA2
SCHEMBL3486013 0.86 ALDH1A1 (0.47) MEN1KMT2ATDP1CA1CA2
SCHEMBL992117 0.86 ALDH1A1 (0.47) MEN1KMT2ATDP1CA1CA2
SCHEMBL17445245 0.85 MAOA (0.42) MEN1GAAKMT2ATDP1CA1
SCHEMBL11569592 0.84 EPHX1 (0.46) GAACTSKMAOBCTSS
SCHEMBL25142486 0.81 MEN1 (0.37) MEN1GAAKMT2ATDP1CA1
SCHEMBL21189283 0.81 BLM (0.33) MEN1GAAKMT2ACA1CA7
SCHEMBL21189165 0.81 BLM (0.33) MEN1GAAKMT2ACA1CA7
SCHEMBL21189288 0.81 BLM (0.33) MEN1GAAKMT2ACA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160160206-A1 Aldehyde-Tagged Protein-Based Drug Carriers and Methods of Use CATALENT PHARMA SOLUTIONS, LLC 2016-06-09 US disclosed
US-9238878-B2 Aldehyde-tagged protein-based drug carriers and methods of use REDWOOD BIOSCIENCE, INC. (US) 2016-01-19 US disclosed
US-7964687-B2 reacting methacrylic anhydride in chloroform with ethylenedioxy/bis/ethyleneamine, to form intermediate, reacting with tert-butyloxycarboyl-aminoacetic acid and carbodiminde compound to from monomer; homo or copolymerizing monomer with ethylene glycol, dimethacryalate crosslinker, deblocking polymer SUMITOMO BAKELITE COMPANY, LTD. (JP) 2011-06-21 US disclosed
US-20100210543-A1 Aldehyde-Tagged Protein-Based Drug Carriers and Methods of Use REDWOOD BIOSCIENCE, INC. 2010-08-19 US disclosed
US-20080097061-A1 Oxylamino Group-Containing Compound and Polymer NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2008-04-24 US 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-20100210543-A1 Aldehyde-Tagged Protein-Based Drug Carriers and Methods of Use ALDH3A1, ALDH1A1, ALDH2 MEN1 4715/4885GAA 170/4885KMT2A 3332/4885
US-20080097061-A1 Oxylamino Group-Containing Compound and Polymer MAOB, OPRM1, OXER1 MEN1 3323/4885GAA 2366/4885KMT2A 1094/4885

“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.