SCHEMBL2826253

SCHEMBL2826253

CC(C)(Oc1ccc(C(=O)OCc2cnn(Cc3ccc(F)c(F)c3)c2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
PPARA Q07869 13/20 0.43
PPARD Q03181 10/20 0.43
PPARG P37231 8/20 0.40
TBXAS1 P24557 2/20 0.39
KLKB1 P03952 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
FABP2 P12104 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2819683 0.90 KLKB1 (0.37) BCL9CTNNB1PPARAPPARDKLKB1
SCHEMBL2823535 0.87 PPARG (0.44) PPARAPPARDPPARGTBXAS1KLKB1
SCHEMBL2818635 0.87 PPARG (0.42) PPARAPPARDPPARGTBXAS1FABP2
SCHEMBL2819470 0.87 L3MBTL1 (0.47) BCL9CTNNB1PPARAPPARDPPARG
SCHEMBL2820265 0.86 PPARA (0.53) PPARAPPARDPPARGTBXAS1FABP2
SCHEMBL2819197 0.86 PPARA (0.46) PPARAPPARDPPARGTBXAS1FABP2
SCHEMBL2823007 0.85 THRB (0.44) PPARAPPARDPPARGMAOB
SCHEMBL2819333 0.85 PPARG (0.46) PPARAPPARDPPARGTBXAS1
SCHEMBL2821029 0.84 TBXAS1 (0.39) TBXAS1KLKB1SLC22A12ALDH1A1SMN1; SMN2
SCHEMBL2819374 0.84 TBXAS1 (0.42) PPARAPPARDPPARGTBXAS1FABP2

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 BCL9 3218/4885CTNNB1 2027/4885PPARA 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.