SCHEMBL513659

SCHEMBL513659

CC(C)(C)OC(=O)NCC(=O)C1CC(B(O)O)=CCN1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
NAMPT P43490 3/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
GFER P55789 1/20 0.32
KDM4A O75164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX1 P07099 1/20 0.32
DRD2 P14416 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
HCRTR2 O43614 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL1459947 0.79 MAPK1 (0.34)
SCHEMBL4590617 0.75 PRMT5 (0.39) EPHX2ALDH1A1KMT2AMEN1TSHR
SCHEMBL12813953 0.67 KMT2A (0.40) ALDH1A1KMT2AMEN1TSHRSIGMAR1
SCHEMBL9931314 0.66 KMT2A (0.50) ALDH1A1KMT2AMEN1TSHRGFER
SCHEMBL22043508 0.65 KMT2A (0.43) ALDH1A1KMT2AMEN1TSHREPHX1
SCHEMBL23366831 0.64 EPHX1 (0.51) ALDH1A1KMT2AMEN1TSHRGFER
SCHEMBL29618895 0.64 BTK (0.50) ALDH1A1KMT2AMEN1TSHRGFER
SCHEMBL17282900 0.64 HCRTR2 (0.45) EPHX2ALDH1A1KMT2AMEN1TSHR
SCHEMBL27799448 0.64 KMT2A (0.45) ALDH1A1KMT2AMEN1TSHRGFER
SCHEMBL1001000 0.63 GAA (0.40) EPHX2ALDH1A1KMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028918-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME GLAXO WELLCOME MANUFACTURING PTE LTD. (SG) 2012-02-02 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 (1 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-20120028918-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME PIK3CA, G6PC1, PIK3C2B EPHX2 1803/4885NAMPT 957/4885ALDH1A1 4175/4885

“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.