SCHEMBL2005443

SCHEMBL2005443

Cc1c(C(C)C(=O)O)[nH]c2ccc(OCCCOc3ccc(-c4nc(C(F)(F)F)co4)cc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.39
PPARA Q07869 8/20 0.39
NR1I2 O75469 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
TLR9 Q9NR96 3/20 0.33
TLR8 Q9NR97 3/20 0.33
TLR7 Q9NYK1 3/20 0.33
PDE2A O00408 1/20 0.33
MCL1 Q07820 1/20 0.33
AOC3 Q16853 2/20 0.33
PTPN1 P18031 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL2001143 0.92 NR1I2 (0.36) PPARGPPARANR1I2KDM4EHSD17B10
SCHEMBL2006292 0.86 PPARA (0.41) PPARGPPARANR1I2KDM4EALDH1A1
SCHEMBL2002583 0.78 PPARA (0.40) PPARGPPARAKDM4EHSD17B10TLR9
SCHEMBL2006818 0.78 S1PR5 (0.40) PPARGPPARANR1I2
SCHEMBL2001195 0.77 PPARA (0.50) PPARGPPARANR1I2AOC3
SCHEMBL12568524 0.77 MCL1 (0.42) PPARGPPARAKDM4EALDH1A1CYP3A4
SCHEMBL2007191 0.76 PPARA (0.45) PPARGPPARA
SCHEMBL2000348 0.75 PPARD (0.53) PPARANR1I2TLR9TLR8TLR7
SCHEMBL2000380 0.73 PPARG (0.46) PPARGPPARAMCL1
SCHEMBL4237363 0.70 PPARD (0.55) PPARA

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 PPARG 347/4885PPARA 243/4885NR1I2 3205/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARG 347/4885PPARA 243/4885NR1I2 3205/4885

“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.