SCHEMBL2006789

SCHEMBL2006789

COc1cc(-c2nc3c(o2)CCCC3)ccc1OCCCOc1ccc2c(ccn2C(C)C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 11/20 0.41
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
S1PR5 Q9H228 3/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
KMT2A Q03164 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
SCHEMBL2001006 0.91 S1PR5 (0.43) PPARAPPARGPPARDITGB3ITGAV
SCHEMBL12568504 0.90 PPARG (0.45) PPARAPPARGPPARDITGB3ITGAV
SCHEMBL12568530 0.87 PPARA (0.40) PPARAPPARGPPARDS1PR5S1PR1
SCHEMBL2004678 0.86 PPARD (0.48) PPARAPPARGPPARD
SCHEMBL12568586 0.84 PPARD (0.60) PPARAPPARD
SCHEMBL12568492 0.84 PPARG (0.41) PPARAPPARGPPARDITGB3ITGAV
SCHEMBL13698958 0.82 PPARA (0.39) PPARAPPARGPPARDS1PR5S1PR1
SCHEMBL2004689 0.81 PPARG (0.43) PPARAPPARGPPARDITGB3ITGAV
SCHEMBL1998860 0.79 PPARD (0.47) PPARAPPARGPPARD
SCHEMBL12568583 0.78 PPARD (0.57) 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 8 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-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 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 243/4885PPARG 347/4885PPARD 452/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARA 243/4885PPARG 347/4885PPARD 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.