SCHEMBL1998063

SCHEMBL1998063

CCOc1csc(-c2ccc(OCCCOc3ccc4[nH]c(CC(=O)O)cc4c3)nc2)n1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.59
PPARA Q07869 15/20 0.59
CYP19A1 P11511 1/20 0.41
FFAR4 Q5NUL3 2/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
CDC25C P30307 1/20 0.38
DUSP3 P51452 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37

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
SCHEMBL2004767 0.90 PPARD (0.60) PPARDPPARA
SCHEMBL2002187 0.83 PPARD (0.58) PPARDPPARALOXL2
SCHEMBL2004738 0.79 PPARD (0.62) PPARDPPARA
SCHEMBL12568673 0.79 PPARD (0.60) PPARDPPARA
SCHEMBL2002314 0.75 PPARD (0.56) PPARDPPARACYP19A1CDC25ACDC25B
SCHEMBL2000353 0.75 PPARD (0.56) PPARDPPARACYP19A1CDC25ACDC25B
SCHEMBL1999279 0.75 PPARD (0.56) PPARDPPARACYP19A1CDC25ACDC25B
SCHEMBL1400378 0.74 PPARD (1.00) PPARDPPARA
SCHEMBL2004770 0.73 PPARD (0.58) PPARDPPARA
SCHEMBL2000804 0.73 PPARA (0.54) 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 243/4885CYP19A1 317/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARD 452/4885PPARA 243/4885CYP19A1 317/4885

“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.