SCHEMBL2818860

SCHEMBL2818860

CCCn1nc(Cc2ccc(C)cc2)cc1C(OC(=O)c1ccc(OC(C)(C)C(=O)O)cc1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.46
PPARG P37231 8/20 0.46
PPARD Q03181 9/20 0.45
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL2818856 1.00 PPARA (0.46) PPARAPPARGPPARDALDH1A1HPGD
SCHEMBL2821856 1.00 PPARA (0.46) PPARAPPARGPPARDALDH1A1HPGD
SCHEMBL2819716 0.90 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL2819721 0.90 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL2821653 0.90 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL2821457 0.86 ALDH1A1 (0.37) PPARAPPARGPPARDALDH1A1HPGD
SCHEMBL2821458 0.86 ALDH1A1 (0.37) PPARAPPARGPPARDALDH1A1HPGD
SCHEMBL2821960 0.86 ALDH1A1 (0.37) PPARAPPARGPPARDALDH1A1HPGD
SCHEMBL2821602 0.81 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL2821913 0.75 ALDH1A1 (0.37) PPARAPPARGPPARDALDH1A1HPGD

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

“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.