SCHEMBL2000809

SCHEMBL2000809

CCCc1cc(-c2nc(CC)cs2)ccc1OCCCOc1ccc2c(ccn2C(C)C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.58
PPARD Q03181 18/20 0.58
PPARG P37231 3/20 0.46

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
SCHEMBL12568583 0.89 PPARD (0.57) PPARAPPARDPPARG
SCHEMBL1383027 0.86 PPARD (0.62) PPARAPPARDPPARG
SCHEMBL2000624 0.86 PPARD (0.56) PPARAPPARDPPARG
SCHEMBL1999385 0.86 PPARD (0.56) PPARAPPARDPPARG
SCHEMBL2000916 0.86 PPARD (0.56) PPARAPPARDPPARG
SCHEMBL2004756 0.84 PPARD (0.61) PPARAPPARDPPARG
SCHEMBL2002211 0.83 PPARA (0.59) PPARAPPARDPPARG
SCHEMBL1383087 0.83 PPARA (0.59) PPARAPPARDPPARG
SCHEMBL1385875 0.83 PPARA (0.59) PPARAPPARDPPARG
SCHEMBL12568369 0.83 PPARA (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARA 243/4885PPARD 452/4885PPARG 347/4885

“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.