SCHEMBL2004565

SCHEMBL2004565

CCCc1cc(C(N)=S)ccc1OCCCOc1ccc2c(ccn2C(C)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.55
PPARA Q07869 17/20 0.55
PPARD Q03181 13/20 0.55

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
SCHEMBL2001979 0.85 PPARA (0.52) PPARGPPARAPPARD
SCHEMBL4223705 0.84 PPARG (0.75) PPARGPPARAPPARD
SCHEMBL13699107 0.83 PPARG (0.60) PPARGPPARAPPARD
SCHEMBL12568368 0.81 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL2000809 0.78 PPARA (0.58) PPARGPPARAPPARD
SCHEMBL12568504 0.78 PPARG (0.45) PPARGPPARAPPARD
SCHEMBL2002211 0.77 PPARA (0.59) PPARGPPARAPPARD
SCHEMBL1385875 0.77 PPARA (0.59) PPARGPPARAPPARD
SCHEMBL1383087 0.77 PPARA (0.59) PPARGPPARAPPARD
SCHEMBL2004756 0.76 PPARD (0.61) PPARGPPARAPPARD

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 PPARG 347/4885PPARA 243/4885PPARD 452/4885

“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.