SCHEMBL2000709

SCHEMBL2000709

COc1cc(-c2nccs2)ccc1OCCCOc1ccc2[nH]cc(CC(=O)O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.57
PPARA Q07869 12/20 0.57
KDM4E B2RXH2 1/20 0.53
PPARG P37231 1/20 0.50
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
LTA4H P09960 1/20 0.41
ICMT O60725 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL1383393 0.88 PPARD (0.60) PPARDPPARAKDM4EPPARGMTNR1A
SCHEMBL1999069 0.85 PPARD (0.58) PPARDPPARAKDM4EPPARGMTNR1A
SCHEMBL2004739 0.84 PPARD (0.54) PPARDPPARAKDM4EPPARG
SCHEMBL1998423 0.82 PPARD (0.60) PPARDPPARAKDM4EPPARGICMT
SCHEMBL2000705 0.82 PPARD (0.58) PPARDPPARAKDM4ELTA4H
SCHEMBL1995078 0.81 PPARD (0.62) PPARDPPARAKDM4EPPARG
SCHEMBL12721122 0.75 KDM4E (0.71) PPARDPPARAKDM4EPPARGMTNR1A
SCHEMBL12568546 0.74 PPARD (0.57) PPARDPPARAPPARG
SCHEMBL2000807 0.74 PPARD (0.58) PPARDPPARAKDM4EPPARGMTNR1A
SCHEMBL1400868 0.73 PPARD (1.00) PPARDPPARA

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 PPARD 452/4885PPARA 243/4885KDM4E 1373/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARD 452/4885PPARA 243/4885KDM4E 1373/4885

“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.