SCHEMBL14338232

SCHEMBL14338232

CC(C)C(=O)N(C)[C@H](C)[C@@H](O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
AOC3 Q16853 1/20 0.58
NPY5R Q15761 13/20 0.56
NPY2R P49146 1/20 0.54
ADRA2A P08913 1/20 0.46
ADRA2C P18825 1/20 0.46
LMNA P02545 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL14197120 1.00 GAA (0.64) GAAKDM4EALDH1A1AOC3NPY5R
SCHEMBL14368075 1.00 GAA (0.64) GAAKDM4EALDH1A1AOC3NPY5R
SCHEMBL14338233 1.00 GAA (0.64) GAAKDM4EALDH1A1AOC3NPY5R
SCHEMBL14393690 0.84 GAA (0.66) GAAKDM4EALDH1A1AOC3NPY5R
SCHEMBL16901643 0.84 GAA (0.66) GAAKDM4EALDH1A1AOC3NPY5R
SCHEMBL4649609 0.84 GAA (0.66) GAAKDM4EALDH1A1AOC3NPY5R
SCHEMBL14008046 0.84 GAA (0.66) GAAKDM4EALDH1A1AOC3NPY5R
SCHEMBL14008045 0.84 GAA (0.66) GAAKDM4EALDH1A1AOC3NPY5R
SCHEMBL14393866 0.84 GAA (0.66) GAAKDM4EALDH1A1AOC3NPY5R
SCHEMBL15883839 0.82 GAA (0.60) GAAKDM4EALDH1A1AOC3NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304071-B2 Protein kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-04 US disclosed
US-7304071-B2 Protein kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-04 US disclosed
US-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof CAO JINGRONG 2007-11-15 US disclosed
US-7253187-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-07 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-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAPKAPK2 GAA 4640/4885KDM4E 4090/4885ALDH1A1 3899/4885

“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.