SCHEMBL15148305

SCHEMBL15148305

CC(=O)/C(=C\N(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
HCAR2 Q8TDS4 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 2/20 0.41
USP2 O75604 1/20 0.40
IDE P14735 1/20 0.40
TNNI3 P19429 1/20 0.40
TNNT2 P45379 1/20 0.40
TNNC1 P63316 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
SCHEMBL4105254 1.00 ALDH1A1 (0.53) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL4105252 1.00 ALDH1A1 (0.53) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL10136139 0.92 ALDH1A1 (0.53) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL27911524 0.84 ALDH1A1 (0.56) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL28589558 0.83 ALDH1A1 (0.44) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL28587894 0.83 ALDH1A1 (0.44) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL17048991 0.83 ALDH1A1 (0.44) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL17048929 0.83 ALDH1A1 (0.44) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL17048927 0.83 ALDH1A1 (0.44) ALDH1A1MAPTHPGDHCAR2TDP1
SCHEMBL17048643 0.82 ALDH1A1 (0.44) ALDH1A1MAPTHPGDHCAR2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987441-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2015-03-24 US disclosed
US-20130197219-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2013-08-01 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-20130197219-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 ALDH1A1 1564/4885MAPT 4568/4885HPGD 681/4885

“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.