SCHEMBL2821982

SCHEMBL2821982

CCCc1nn(Cc2ccc(C(F)(F)F)cc2)cc1COC(=O)c1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.47
PPARD Q03181 14/20 0.47
PPARG P37231 7/20 0.42
ALDH1A1 P00352 1/20 0.39
FABP2 P12104 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TBXAS1 P24557 1/20 0.39
PTGER4 P35408 1/20 0.39

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
SCHEMBL2818650 0.81 PPARA (0.44) PPARAPPARDPPARGTBXAS1
SCHEMBL2820265 0.81 PPARA (0.53) PPARAPPARDPPARGALDH1A1FABP2
SCHEMBL2823969 0.80 PTGER4 (0.35) PTGER4
SCHEMBL2818885 0.80 PPARA (0.50) PPARAPPARDPPARGTBXAS1
SCHEMBL2820775 0.77 PPARA (0.49) PPARAPPARDPPARG
SCHEMBL2819468 0.76 PPARA (0.62) PPARAPPARDPPARG
SCHEMBL2819548 0.75 PPARA (0.56) PPARAPPARDPPARG
SCHEMBL2821398 0.73 PTGER4 (0.40) PTGER4
SCHEMBL2821397 0.73 PPARA (0.48) PPARAPPARDPPARGTBXAS1
SCHEMBL2819197 0.73 PPARA (0.46) PPARAPPARDPPARGALDH1A1FABP2

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.