SCHEMBL1999062

SCHEMBL1999062

CC(C(=O)O)n1ccc2cc(OCCCN(C)c3nc(Cl)ncc3F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.40
PPARA Q07869 6/20 0.40
ITGB3 P05106 6/20 0.37
ITGAV P06756 6/20 0.37
MCL1 Q07820 4/20 0.37
PPARG P37231 2/20 0.37
BCL2 P10415 2/20 0.34
KDM4E B2RXH2 1/20 0.33
KCNA5 P22460 1/20 0.33

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
SCHEMBL12568444 0.91 PPARD (0.37) PPARDPPARAITGB3ITGAVMCL1
SCHEMBL12568443 0.87 PPARD (0.48) PPARDPPARAITGB3ITGAVPPARG
SCHEMBL12568727 0.86 PPARD (0.49) PPARDPPARAITGB3ITGAVPPARG
SCHEMBL2005566 0.86 PPARD (0.49) PPARDPPARAITGB3ITGAVPPARG
SCHEMBL12568710 0.84 PPARD (0.58) PPARDPPARAPPARGKDM4E
SCHEMBL4229512 0.84 PPARG (0.54) PPARDPPARAMCL1PPARG
SCHEMBL2004651 0.83 ITGB3 (0.47) ITGB3ITGAVMCL1PPARGBCL2
SCHEMBL12568428 0.81 PPARG (0.44) PPARDPPARAITGB3ITGAVMCL1
SCHEMBL13698944 0.81 MCL1 (0.39) PPARDPPARAITGB3ITGAVMCL1
SCHEMBL2000563 0.77 ITGB3 (0.44) PPARDPPARAITGB3ITGAVMCL1

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 243/4885ITGB3 4684/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARD 452/4885PPARA 243/4885ITGB3 4684/4885

“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.