SCHEMBL2820811

SCHEMBL2820811

Cn1c(COC(=O)c2ccc(SC(C)(C)C(=O)O)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.51
PPARD Q03181 6/20 0.51
PPARG P37231 5/20 0.51
TBXAS1 P24557 2/20 0.41
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
BCHE P06276 1/20 0.34

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
SCHEMBL2822704 0.92 PPARA (0.43) PPARAPPARDPPARGTBXAS1KMT2A
SCHEMBL2821806 0.90 PPARA (0.46) PPARAPPARDPPARGTBXAS1
SCHEMBL2820111 0.89 PPARA (0.43) PPARAPPARDPPARGTBXAS1
SCHEMBL2821367 0.87 PPARA (0.44) PPARAPPARDPPARGTBXAS1
SCHEMBL2820164 0.87 PPARA (0.44) PPARAPPARDPPARGTBXAS1
SCHEMBL2819419 0.84 PPARA (0.72) PPARAPPARDPPARG
SCHEMBL2819490 0.83 PPARA (0.45) PPARAPPARDPPARGTBXAS1NPC1
SCHEMBL2819934 0.82 PPARA (0.43) PPARAPPARDPPARGTBXAS1NPC1
SCHEMBL2820480 0.82 PPARG (0.42) PPARAPPARDPPARGTBXAS1KMT2A
SCHEMBL2819367 0.81 PPARA (0.55) PPARAPPARDPPARGTBXAS1

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 PPARA 1/4885PPARD 2/4885PPARG 3/4885

“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.