SCHEMBL2000660

SCHEMBL2000660

CCOc1nc(-c2ccc(OCCCOc3ccc4c(ccn4[C@H](C)C(=O)O)c3)nc2)sc1C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.45
PPARD Q03181 8/20 0.45
RARB P10826 5/20 0.39
RARG P13631 3/20 0.39
RARA P10276 2/20 0.39
PPARG P37231 2/20 0.39
FFAR4 Q5NUL3 1/20 0.37
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
ALOX5AP P20292 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34

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
SCHEMBL2003435 1.00 PPARA (0.45) PPARAPPARDRARBRARGRARA
SCHEMBL12568683 1.00 PPARA (0.45) PPARAPPARDRARBRARGRARA
SCHEMBL12568591 0.88 PPARD (0.58) PPARAPPARDRARBRARGRARA
SCHEMBL1385875 0.86 PPARA (0.59) PPARAPPARDRARBRARGRARA
SCHEMBL1383087 0.86 PPARA (0.59) PPARAPPARDRARBRARGRARA
SCHEMBL2002211 0.86 PPARA (0.59) PPARAPPARDRARBRARGRARA
SCHEMBL12568680 0.85 PPARD (0.57) PPARAPPARDPPARGITGB3ITGAV
SCHEMBL2000916 0.82 PPARD (0.56) PPARAPPARDPPARGITGB3ITGAV
SCHEMBL2000624 0.82 PPARD (0.56) PPARAPPARDPPARGITGB3ITGAV
SCHEMBL1999385 0.82 PPARD (0.56) PPARAPPARDPPARGITGB3ITGAV

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 PPARA 243/4885PPARD 452/4885RARB 3191/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARA 243/4885PPARD 452/4885RARB 3191/4885

“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.