SCHEMBL2823007

SCHEMBL2823007

CC(C)(Oc1ccc(C(=O)OCc2cnn(Cc3cccc(C(F)(F)F)c3)c2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
NR4A2 P43354 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44
MAOB P27338 2/20 0.43
PPARA Q07869 9/20 0.42
PPARD Q03181 8/20 0.42
PPARG P37231 5/20 0.42
USP2 O75604 2/20 0.40
CYP3A4 P08684 2/20 0.40
NR1I2 O75469 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 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
SCHEMBL2820265 0.90 PPARA (0.53) PPARAPPARDPPARG
SCHEMBL2823535 0.85 PPARG (0.44) PPARAPPARDPPARG
SCHEMBL2826253 0.85 BCL9 (0.44) MAOBPPARAPPARDPPARG
SCHEMBL2819515 0.85 THRB (0.43) THRBNR4A2PRKCAPRKCDMAOB
SCHEMBL2819197 0.84 PPARA (0.46) NR4A2PPARAPPARDPPARG
SCHEMBL2818635 0.84 PPARG (0.42) PPARAPPARDPPARG
SCHEMBL2819333 0.83 PPARG (0.46) THRBPPARAPPARDPPARG
SCHEMBL2819470 0.83 L3MBTL1 (0.47) PPARAPPARDPPARG
SCHEMBL2824872 0.82 RXRA (0.40) PPARAPPARDPPARGCYP3A4
SCHEMBL2819374 0.81 TBXAS1 (0.42) PPARAPPARDPPARGCYP3A4CYP1A2

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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US claimed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 WO claimed
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG THRB 266/4885NR4A2 85/4885PRKCA 136/4885

“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.