SCHEMBL2821020

SCHEMBL2821020

CCCCCCCn1c(COC(=O)c2ccc(SC(C)(C)C(=O)OCC)cc2)nn(Cc2ccc(C)cc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.44
PPARG P37231 5/20 0.44
PPARD Q03181 2/20 0.44
AGTR1 P30556 2/20 0.36
AGTR2 P50052 1/20 0.36
P2RX3 P56373 1/20 0.34

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
SCHEMBL2821485 0.93 PPARA (0.49) PPARAPPARGPPARDAGTR1
SCHEMBL2823669 0.93 PPARA (0.49) PPARAPPARGPPARDAGTR1
SCHEMBL2820081 0.93 PPARA (0.49) PPARAPPARGPPARDAGTR1
SCHEMBL2819367 0.86 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL2821367 0.86 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL2820164 0.86 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL2820900 0.83 PPARA (0.42) PPARAPPARGPPARDAGTR1
SCHEMBL2821377 0.82 PPARA (0.46) PPARAPPARGPPARDP2RX3
SCHEMBL2822664 0.82 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL2819994 0.82 PPARA (0.67) PPARAPPARGPPARD

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 1/4885PPARG 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.