SCHEMBL13817860

SCHEMBL13817860

C/C=C/CN(CCC)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.46
PAX8 Q06710 1/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
APP P05067 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
ALOX5 P09917 1/20 0.40
TP53 P04637 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
CCKBR P32239 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 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
SCHEMBL19339174 0.90 ALDH1A1 (0.50) CCR6PAX8ALDH1A1MAPK1TDP1
SCHEMBL3083608 0.85 CCR6 (0.58) CCR6PAX8ALDH1A1MAPK1TDP1
SCHEMBL18594775 0.83 CCR6 (0.52) CCR6PAX8ALDH1A1MAPK1TDP1
Carbamic Acid SCHEMBL25282587 0.81 CCR6 (0.55) CCR6PAX8ALDH1A1MAPK1TDP1
SCHEMBL8900957 0.81 CCR6 (0.51) CCR6PAX8ALDH1A1MAPK1TDP1
SCHEMBL13049197 0.80 CCR6 (0.50) CCR6PAX8ALDH1A1MAPK1TDP1
SCHEMBL18057682 0.80 CCR6 (0.60) CCR6PAX8ALDH1A1MAPK1TDP1
SCHEMBL13661129 0.80 CCR6 (0.57) CCR6PAX8ALDH1A1MAPK1TDP1
SCHEMBL6342760 0.80 CCR6 (0.56) CCR6PAX8ALDH1A1MAPK1TDP1
SCHEMBL15508590 0.79 CCR6 (0.63) CCR6PAX8ALDH1A1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550481-B2 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2009-06-23 US disclosed
US-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2007-06-21 US disclosed
US-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2007-06-21 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-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, APP CCR6 4874/4885PAX8 4646/4885ALDH1A1 1506/4885

“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.