SCHEMBL15964622

SCHEMBL15964622

CC(C)(C)OC(=O)N[C@@H](COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.47
PPARG P37231 3/20 0.47
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PKM P14618 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPD P32754 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 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
SCHEMBL1562148 0.88 PPARA (0.45) PPARAPPARGALDH1A1
SCHEMBL1562149 0.88 PPARA (0.45) PPARAPPARGALDH1A1
SCHEMBL8903728 0.88 PPARA (0.45) PPARAPPARGALDH1A1
SCHEMBL8904021 0.87 ALDH1A1 (0.52) PPARAPPARGMAPTALDH1A1KMT2A
SCHEMBL27373894 0.87 ALDH1A1 (0.52) PPARAPPARGMAPTALDH1A1KMT2A
SCHEMBL17321186 0.87 ALDH1A1 (0.52) PPARAPPARGMAPTALDH1A1KMT2A
SCHEMBL29079129 0.86 AAK1 (0.50) PPARAPPARGALDH1A1
SCHEMBL30037723 0.86 AAK1 (0.50) PPARAPPARGALDH1A1
SCHEMBL1561539 0.86 MAPT (0.47) PPARAPPARGMAPTALDH1A1MEN1
SCHEMBL1561542 0.86 MAPT (0.47) PPARAPPARGMAPTALDH1A1MEN1

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
US-20170183332-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-29 US disclosed
US-9624202-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-18 US disclosed
US-9556152-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-31 US disclosed
US-20170008878-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-12 US disclosed
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-10 US disclosed
WO-2014125444-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-08-21 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 (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-20170183332-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP4K2 PPARA 1994/4885PPARG 1786/4885MAPT 4393/4885
US-20170008878-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP4K2 PPARA 1994/4885PPARG 1786/4885MAPT 4393/4885
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP3K3 PPARA 1878/4885PPARG 1800/4885MAPT 4381/4885

“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.