SCHEMBL2820480

SCHEMBL2820480

CC(C)(Sc1ccc(C(=O)OCc2nn(Cc3ccc(C(C)(C)C)cc3)c(=O)[nH]2)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.42
PPARD Q03181 3/20 0.42
PPARA Q07869 3/20 0.42
TBXAS1 P24557 2/20 0.41
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
NR4A2 P43354 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
MEN1 O00255 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
MCTS1 Q9ULC4 1/20 0.33

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
SCHEMBL2819380 0.92 PPARA (0.51) PPARGPPARDPPARATBXAS1KMT2A
SCHEMBL2820599 0.84 PPARA (0.60) PPARGPPARDPPARATBXAS1
SCHEMBL2822946 0.82 PPARG (0.45) PPARGPPARDPPARATBXAS1KMT2A
SCHEMBL2820811 0.82 PPARA (0.51) PPARGPPARDPPARATBXAS1KMT2A
SCHEMBL2820111 0.80 PPARA (0.43) PPARGPPARDPPARATBXAS1
SCHEMBL2821806 0.79 PPARA (0.46) PPARGPPARDPPARATBXAS1
SCHEMBL2818938 0.77 TBXAS1 (0.43) TBXAS1KMT2ALMNATP53EPHX2
SCHEMBL2821367 0.76 PPARA (0.44) PPARGPPARDPPARATBXAS1
SCHEMBL2820164 0.76 PPARA (0.44) PPARGPPARDPPARATBXAS1
SCHEMBL2820194 0.76 ALOX5 (0.48) TBXAS1LMNATP53

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-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
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 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 PPARG 3/4885PPARD 2/4885PPARA 1/4885

“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.