SCHEMBL2819934

SCHEMBL2819934

CCn1c(COC(=O)c2ccc(SC(C)(C)C(=O)O)cc2)nn(Cc2ccc(C(F)(F)F)cc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.43
PPARD Q03181 5/20 0.39
TBXAS1 P24557 2/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
PPARG P37231 4/20 0.37
P2RY14 Q15391 1/20 0.36

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
SCHEMBL2819490 0.93 PPARA (0.45) PPARAPPARDTBXAS1NPC1ALDH1A1
SCHEMBL2820111 0.93 PPARA (0.43) PPARAPPARDTBXAS1PPARG
SCHEMBL2821377 0.91 PPARA (0.46) PPARAPPARDTBXAS1PPARG
SCHEMBL2821242 0.86 PPARA (0.46) PPARAPPARDTBXAS1PPARG
SCHEMBL2821806 0.86 PPARA (0.46) PPARAPPARDTBXAS1PPARG
SCHEMBL2819539 0.86 PPARA (0.41) PPARAPPARDTBXAS1ALDH1A1PPARG
SCHEMBL2819548 0.85 PPARA (0.56) PPARAPPARDPPARG
SCHEMBL2824760 0.85 PPARA (0.46) PPARAPPARDTBXAS1MAPTPPARG
SCHEMBL2820585 0.85 PPARG (0.44) PPARAPPARDLMNAMAPTPTGDR2
SCHEMBL2826192 0.84 PPARA (0.52) PPARAPPARDPPARG

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 2/4885TBXAS1 444/4885

“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.