SCHEMBL2820632

SCHEMBL2820632

CC(C)(Oc1ccc(C(=O)OCc2cn(-c3ccc(C(F)(F)F)cc3)nn2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.58
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PPARD Q03181 5/20 0.49
PPARA Q07869 5/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
CA2 P00918 1/20 0.49
NPC1 O15118 2/20 0.48
NOTUM Q6P988 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
RXRA P19793 5/20 0.46
GRIN1 Q05586 5/20 0.46
GRIN2B Q13224 5/20 0.46
CA1 P00915 1/20 0.46
PPARG P37231 1/20 0.45

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 0.85 PPARA (0.50) PPARDPPARAPPARG
SCHEMBL2821343 0.84 POLB (0.55) APPPOLBL3MBTL1CA12CA9
SCHEMBL2822928 0.83 PPARA (0.52) PPARDPPARAPPARG
SCHEMBL2821397 0.78 PPARA (0.48) APPPOLBL3MBTL1PPARDPPARA
SCHEMBL2819363 0.77 HSP90AB1 (0.47) APPPOLBL3MBTL1PPARDPPARA
SCHEMBL2820775 0.76 PPARA (0.49) PPARDPPARAPPARG
SCHEMBL2819219 0.76 HSP90AB1 (0.43) APPPOLBL3MBTL1PPARDPPARA
SCHEMBL2819648 0.75 HDAC1 (0.44) PPARDPPARA
SCHEMBL2821446 0.75 HSP90AB1 (0.53) APPPOLBL3MBTL1PPARG
SCHEMBL2821752 0.74 CYP19A1 (0.51) POLBL3MBTL1PPARANPC1KMT2A

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 APP 2206/4885POLB 598/4885L3MBTL1 4855/4885

“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.