SCHEMBL2000738

SCHEMBL2000738

Cc1cnc(-c2ccc3c(c2)OCO3)nc1N(C)CCCOc1ccc2[nH]c(CC(=O)O)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.49
PPARD Q03181 15/20 0.49
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
PPARG P37231 1/20 0.38
PTGER4 P35408 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL2001957 0.92 PPARD (0.47) PPARAPPARDBCHEACHERAB9A
SCHEMBL1999969 0.86 PPARD (0.61) PPARAPPARDRAB9A
SCHEMBL2008024 0.86 PPARD (0.61) PPARAPPARDPPARG
SCHEMBL12568692 0.81 PPARD (0.51) PPARAPPARDPPARG
SCHEMBL1400479 0.79 PPARA (0.79) PPARAPPARDPPARG
SCHEMBL2006654 0.79 PPARD (0.61) PPARAPPARDRAB9A
SCHEMBL2004281 0.78 PPARD (0.51) PPARAPPARDBCHEACHE
SCHEMBL2006018 0.76 PPARD (0.51) PPARAPPARD
SCHEMBL1998007 0.76 PPARA (0.49) PPARAPPARDBCHEACHEPPARG
SCHEMBL1400905 0.75 PPARA (0.62) PPARAPPARDPPARG

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 PPARA 243/4885PPARD 452/4885BCHE 984/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARA 243/4885PPARD 452/4885BCHE 984/4885

“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.