SCHEMBL2004689

SCHEMBL2004689

CCc1coc(-c2ccc(OCCCOc3ccc4c(ccn4C(C)C(=O)O)c3)c(OC)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.43
PPARA Q07869 12/20 0.40
PPARD Q03181 9/20 0.40
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2000111 0.93 PPARG (0.40) PPARGPPARAPPARDABCB1ABCC1
SCHEMBL12568499 0.90 PPARG (0.43) PPARGPPARAPPARDITGB3ITGAV
SCHEMBL12568532 0.87 PPARA (0.39) PPARGPPARAPPARDKDM4EMEN1
SCHEMBL2003799 0.85 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL12568583 0.84 PPARD (0.57) PPARGPPARAPPARDKDM4E
SCHEMBL12568492 0.82 PPARG (0.41) PPARGPPARAPPARDITGB3ITGAV
SCHEMBL2006789 0.81 PPARA (0.42) PPARGPPARAPPARDITGB3ITGAV
SCHEMBL1998860 0.80 PPARD (0.47) PPARGPPARAPPARDKDM4ESMN1; SMN2
SCHEMBL1997202 0.79 PPARD (0.46) PPARGPPARAPPARDITGB3ITGAV
SCHEMBL2005319 0.79 PPARA (0.40) PPARGPPARAPPARDABCB1ABCC1

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 10 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-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-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 PPARG 347/4885PPARA 243/4885PPARD 452/4885
US-20060264486-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.