SCHEMBL2823052

SCHEMBL2823052

CC(C)(Oc1ccc(CC(=O)OCc2cn(Cc3ccc(C(F)(F)F)cc3)nn2)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.50
PPARD Q03181 11/20 0.50
HDAC1 Q13547 1/20 0.46
PPARG P37231 4/20 0.46
TBXAS1 P24557 2/20 0.41
HSP90AB1 P08238 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL2818885 0.89 PPARA (0.50) PPARAPPARDHDAC1PPARGTBXAS1
SCHEMBL2822396 0.83 PPARA (0.45) PPARAPPARDHDAC1PPARGHSP90AB1
SCHEMBL2821397 0.82 PPARA (0.48) PPARAPPARDPPARGTBXAS1HSP90AB1
SCHEMBL2822932 0.82 PPARD (0.43) PPARAPPARDHDAC1PPARGHSP90AB1
SCHEMBL2820775 0.82 PPARA (0.49) PPARAPPARDHDAC1PPARG
SCHEMBL2819363 0.81 HSP90AB1 (0.47) PPARAPPARDHDAC1PPARGTBXAS1
SCHEMBL2819219 0.80 HSP90AB1 (0.43) PPARAPPARDHDAC1PPARGTBXAS1
SCHEMBL2819648 0.79 HDAC1 (0.44) PPARAPPARDHDAC1HSP90AB1
SCHEMBL2821752 0.79 CYP19A1 (0.51) PPARAHDAC1PPARGTBXAS1HSP90AB1
SCHEMBL2821113 0.78 CYP19A1 (0.52) PPARAPPARDHDAC1PPARGTBXAS1

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 2/4885HDAC1 1167/4885

“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.