SCHEMBL2002189

SCHEMBL2002189

Cc1nc(-c2ccc(OCCCOc3ccc4[nH]cc(CC(=O)O)c4c3)nc2)sc1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.57
PPARA Q07869 10/20 0.57
PPARG P37231 1/20 0.51
KDM4E B2RXH2 1/20 0.48
MTNR1A P48039 6/20 0.42
MTNR1B P49286 6/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LTA4H P09960 1/20 0.38
PLA2G2A P14555 1/20 0.38

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
SCHEMBL2000807 0.91 PPARD (0.58) PPARDPPARAPPARGKDM4EMTNR1A
SCHEMBL1999069 0.87 PPARD (0.58) PPARDPPARAPPARGKDM4EMTNR1A
SCHEMBL2004770 0.83 PPARD (0.58) PPARDPPARAPPARGKDM4EMTNR1A
SCHEMBL2002187 0.83 PPARD (0.58) PPARDPPARA
SCHEMBL1998423 0.78 PPARD (0.60) PPARDPPARAPPARGKDM4EALDH1A1
SCHEMBL1385979 0.78 PPARD (0.62) PPARDPPARAPPARGKDM4EMTNR1A
SCHEMBL6218856 0.77 PPARG (0.49) PPARDPPARAPPARGKDM4EMTNR1A
SCHEMBL6223717 0.77 PPARG (0.51) PPARDPPARAPPARGKDM4EMTNR1A
SCHEMBL1999967 0.77 PPARA (0.44) PPARDPPARAPPARGKDM4EMTNR1A
SCHEMBL2004039 0.77 PPARD (0.56) PPARDPPARAPPARGMTNR1AMTNR1B

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 243/4885PPARG 347/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARD 452/4885PPARA 243/4885PPARG 347/4885

“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.