SCHEMBL2819752

SCHEMBL2819752

CCCC(=O)C(=CN(C)C)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.49
NPSR1 Q6W5P4 3/20 0.44
GLO1 Q04760 1/20 0.44
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 2/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
MAPT P10636 6/20 0.36
LMNA P02545 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
USP2 O75604 1/20 0.35
IDE P14735 1/20 0.35

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
SCHEMBL2819750 1.00 CYP2C9 (0.49) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL4737777 0.86 CYP2C9 (0.46) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL4099809 0.85 CYP2C9 (0.51) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL5902803 0.85 CYP2C9 (0.51) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL4099808 0.85 CYP2C9 (0.51) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL3328892 0.85 CYP2C9 (0.45) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL3328894 0.85 CYP2C9 (0.45) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL3230226 0.85 CYP2C9 (0.58) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL21824304 0.84 CES2 (0.39) CYP2C9ALDH1A1MEN1KMT2ACES2
SCHEMBL15790746 0.84 CES2 (0.39) CYP2C9ALDH1A1MEN1KMT2ACES2

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
CN-110475775-B 4-pyridone compound or salt thereof, pharmaceutical composition containing 4-pyridone compound, and agent 富士胶片株式会社 2023-05-09 CN disclosed
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US disclosed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 WO disclosed
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 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 (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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG CYP2C9 1030/4885NPSR1 759/4885GLO1 3133/4885

“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.