SCHEMBL2000353

SCHEMBL2000353

CCc1csc(-c2ccc(OCCCOc3ccc4[nH]c(C(C)C(=O)O)cc4c3)nc2)n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.56
PPARA Q07869 15/20 0.56
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
CDC25C P30307 1/20 0.35
DUSP3 P51452 1/20 0.35
CYP19A1 P11511 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
SCHEMBL1999279 1.00 PPARD (0.56) PPARDPPARATP53MAPTKDM4E
SCHEMBL2002314 1.00 PPARD (0.56) PPARDPPARATP53MAPTKDM4E
SCHEMBL1998615 0.87 PPARD (0.57) PPARDPPARAMAPTKDM4EALDH1A1
SCHEMBL2004767 0.85 PPARD (0.60) PPARDPPARAKDM4EALDH1A1HPGD
SCHEMBL2000355 0.84 PPARD (0.55) PPARDPPARACDC25ACDC25BCDC25C
SCHEMBL1999284 0.84 PPARD (0.55) PPARDPPARACDC25ACDC25BCDC25C
SCHEMBL2002318 0.84 PPARD (0.55) PPARDPPARACDC25ACDC25BCDC25C
SCHEMBL1999965 0.82 PPARA (0.45) PPARDPPARA
SCHEMBL2004036 0.81 PPARD (0.57) PPARDPPARAMAPTKDM4EALDH1A1
SCHEMBL2000916 0.79 PPARD (0.56) PPARDPPARATP53MAPTKDM4E

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 243/4885TP53 2568/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARD 452/4885PPARA 243/4885TP53 2568/4885

“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.