SCHEMBL2001195

SCHEMBL2001195

Cc1nc(-c2ccc(OCCCOc3ccc4[nH]c(C(C)C(=O)O)c(C)c4c3)cc2)sc1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.50
PPARD Q03181 6/20 0.50
TARBP2 Q15633 1/20 0.45
AOC3 Q16853 2/20 0.40
NR1I2 O75469 1/20 0.39
PPARG P37231 6/20 0.38
ATAD2 Q6PL18 1/20 0.36
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
RARB P10826 1/20 0.36
HAO1 Q9UJM8 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
SCHEMBL4237363 0.90 PPARD (0.55) PPARAPPARD
SCHEMBL2000348 0.84 PPARD (0.53) PPARAPPARDTARBP2NR1I2
SCHEMBL2002212 0.83 PPARA (0.54) PPARAPPARDTARBP2AOC3NR1I2
SCHEMBL2003148 0.80 PPARD (0.57) PPARAPPARDRARB
SCHEMBL2000389 0.79 PPARD (0.58) PPARAPPARDPPARGRARB
SCHEMBL2006292 0.79 PPARA (0.41) PPARAPPARDNR1I2PPARG
SCHEMBL2001143 0.78 NR1I2 (0.36) PPARAPPARDNR1I2PPARG
SCHEMBL2005443 0.77 PPARG (0.39) PPARAAOC3NR1I2PPARG
SCHEMBL2006818 0.77 S1PR5 (0.40) PPARANR1I2PPARG
SCHEMBL2000807 0.77 PPARD (0.58) 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 4 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
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 US disclosed
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC 2006-11-23 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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARA 243/4885PPARD 452/4885TARBP2 4536/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARA 243/4885PPARD 452/4885TARBP2 4536/4885

“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.