SCHEMBL4118352

SCHEMBL4118352

CCCn1c(CCc2ccc(O)cc2)nn(-c2ccc(C(F)(F)F)cc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.47
PPARD Q03181 13/20 0.47
CTSK P43235 1/20 0.41
PPARG P37231 2/20 0.40
MAOB P27338 1/20 0.39
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
NR3C1 P04150 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
ESR2 Q92731 1/20 0.38
PTGS2 P35354 1/20 0.38
ME2 P23368 1/20 0.38
ME1 P48163 1/20 0.38
ME3 Q16798 1/20 0.38
ADORA2B P29275 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
SCHEMBL4112905 0.87 PPARA (0.46) PPARAPPARDCTSKPPARG
SCHEMBL4120740 0.85 PPARA (0.52) PPARAPPARDPPARGNR3C1THRA
SCHEMBL27596200 0.84 PPARD (0.49) PPARAPPARDCTSKPPARGNR3C1
SCHEMBL14337622 0.83 PPARA (0.53) PPARAPPARDPPARG
SCHEMBL4110752 0.83 PPARA (0.62) PPARAPPARDPPARG
SCHEMBL16554093 0.83 PPARD (0.51) PPARAPPARDCTSKPPARGNR3C1
SCHEMBL4115734 0.82 PPARA (0.48) PPARAPPARDPPARGNR3C1THRA
SCHEMBL4106692 0.81 PPARA (0.53) PPARAPPARDPPARG
SCHEMBL13903570 0.80 PPARD (0.59) PPARAPPARDPPARGNR3C1THRA
SCHEMBL13903575 0.79 PPARD (0.53) PPARAPPARDPPARGNR3C1THRA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
EP-1335908-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS LILLY CO ELI (US) 2008-02-13 EP disclosed
EP-1335908-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS LILLY CO ELI (US) 2008-02-13 EP disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists CANO IVAN COLLADO (ES) 2004-05-27 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 (2 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-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists PPARG, PPARA, PPARD PPARA 2/4885PPARD 3/4885CTSK 2983/4885
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS PPARG, PPARA, PPARD PPARA 2/4885PPARD 3/4885CTSK 2330/4885

“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.