SCHEMBL12568630

SCHEMBL12568630

Cc1cn(C(C)C(=O)O)c2ccc(OCCCOc3ccc(-c4nc5c(s4)CCCC5)cc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.52
PPARA Q07869 9/20 0.52
FFAR4 Q5NUL3 4/20 0.41
MCL1 Q07820 1/20 0.39
PTPN1 P18031 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
TARBP2 Q15633 1/20 0.35

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
SCHEMBL12568645 0.91 PPARD (0.58) PPARDPPARA
SCHEMBL1386344 0.89 PPARD (0.59) PPARDPPARAMCL1
SCHEMBL2003241 0.89 PPARD (0.59) PPARDPPARAMCL1
SCHEMBL12568663 0.89 PPARD (0.59) PPARDPPARAMCL1
SCHEMBL1385758 0.86 PPARD (0.54) PPARDPPARAFFAR4
SCHEMBL2006668 0.86 PPARD (0.54) PPARDPPARAFFAR4
SCHEMBL2002070 0.86 PPARD (0.54) PPARDPPARAFFAR4
SCHEMBL1996610 0.85 PPARD (0.55) PPARDPPARAFFAR4THRATHRB
SCHEMBL12568638 0.85 PPARA (0.49) PPARDPPARAMCL1PTPN1THRA
SCHEMBL12568527 0.82 S1PR5 (0.42) PPARDPPARAMCL1

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 6 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-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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 243/4885FFAR4 43/4885

“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.