SCHEMBL2000990

SCHEMBL2000990

CC(C(=O)O)n1ccc2cc(OCCCOc3ccc(-c4nc(C(C)(C)C)co4)cc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.42
MCL1 Q07820 5/20 0.39
BCL2 P10415 2/20 0.39
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
PPARA Q07869 10/20 0.37
PPARD Q03181 4/20 0.37
GRM2 Q14416 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
SCHEMBL2000380 0.92 PPARG (0.46) PPARGMCL1BCL2ITGB3ITGAV
SCHEMBL12568499 0.86 PPARG (0.43) PPARGITGB3ITGAVPPARAPPARD
SCHEMBL12568516 0.85 MCL1 (0.42) PPARGMCL1PPARAPPARD
SCHEMBL2002704 0.84 PPARG (0.55) PPARGMCL1BCL2PPARAPPARD
SCHEMBL2005447 0.79 PPARG (0.40) PPARGMCL1BCL2ITGB3ITGAV
SCHEMBL12568524 0.78 MCL1 (0.42) PPARGMCL1PPARAPPARD
SCHEMBL2004689 0.77 PPARG (0.43) PPARGITGB3ITGAVPPARAPPARD
SCHEMBL2001006 0.77 S1PR5 (0.43) PPARGITGB3ITGAVPPARAPPARD
SCHEMBL2001463 0.75 PPARA (0.51) PPARGMCL1ITGB3ITGAVPPARA
SCHEMBL2000563 0.75 ITGB3 (0.44) PPARGMCL1BCL2ITGB3ITGAV

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 347/4885MCL1 2673/4885BCL2 2728/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARG 347/4885MCL1 2673/4885BCL2 2728/4885

“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.