SCHEMBL14652137

SCHEMBL14652137

CC(C)(C)OC(=O)Nc1ccc(C(=O)CO)cn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.53
HDAC1 Q13547 1/20 0.46
BCL2 P10415 1/20 0.43
NAMPT P43490 3/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
DEGS1 O15121 1/20 0.41
ATR Q13535 1/20 0.40
HCAR3 P49019 4/20 0.39
MAPKAPK2 P49137 1/20 0.39
CYP17A1 P05093 2/20 0.39
NNMT P40261 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL15059736 0.89 GRIN2B (0.53) GRIN2BHDAC1BCL2NAMPTGSK3B
SCHEMBL28653645 0.88 GRIN2B (0.53) GRIN2BHDAC1BCL2NAMPTGSK3B
SCHEMBL13838587 0.86 GRIN2B (0.52) GRIN2BHDAC1BCL2NAMPTGSK3B
SCHEMBL31727242 0.84 GRIN2B (0.48) GRIN2BHDAC1BCL2NAMPTGSK3B
SCHEMBL29651977 0.84 HCAR3 (0.57) GRIN2BHDAC1BCL2HCAR3
SCHEMBL2877186 0.84 HCAR3 (0.57) GRIN2BHDAC1BCL2HCAR3
SCHEMBL28658285 0.84 GRIN2B (0.48) GRIN2BHDAC1BCL2NAMPTGSK3B
SCHEMBL30552385 0.83 HDAC1 (0.51) GRIN2BHDAC1BCL2NAMPTGSK3B
SCHEMBL26227296 0.83 HDAC1 (0.51) GRIN2BHDAC1BCL2NAMPTGSK3B
SCHEMBL7936803 0.83 HCAR3 (0.55) GRIN2BHDAC1BCL2HCAR3

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-20130023497-A1 Triazine Derivatives and their Therapeutical Applications NANTBIO, INC. 2013-01-24 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 (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-20130023497-A1 Triazine Derivatives and their Therapeutical Applications IL5, IKZF3, CYP11B2 GRIN2B 370/4885HDAC1 112/4885BCL2 147/4885

“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.