SCHEMBL2003371

SCHEMBL2003371

CN(CCCOc1ccc2[nH]c(CC(=O)O)cc2c1)c1nc(Cl)ncc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.42
PPARA Q07869 8/20 0.42
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
FLT3 P36888 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
LTA4H P09960 1/20 0.35
PDE3B Q13370 4/20 0.35
PDE3A Q14432 4/20 0.35
P2RY12 Q9H244 3/20 0.35
PDE2A O00408 2/20 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
SCHEMBL2004281 0.85 PPARD (0.51) PPARDPPARAPDGFRBPDGFRAFLT3
SCHEMBL2006654 0.84 PPARD (0.61) PPARDPPARAPDGFRBPDGFRA
SCHEMBL2006018 0.83 PPARD (0.51) PPARDPPARAPDGFRBPDGFRA
SCHEMBL1998007 0.83 PPARA (0.49) PPARDPPARAPDGFRBPDGFRA
SCHEMBL5993638 0.82 KDM4E (0.48) PPARDPPARA
SCHEMBL2001957 0.81 PPARD (0.47) PPARDPPARAPDGFRBPDGFRA
SCHEMBL2008024 0.79 PPARD (0.61) PPARDPPARAPDGFRBPDGFRALTA4H
SCHEMBL2003376 0.79 DRD4 (0.37) PPARDSIRT1PDE3BPDE3AP2RY12
SCHEMBL1999969 0.75 PPARD (0.61) PPARDPPARAPDGFRBPDGFRA
SCHEMBL1999062 0.74 PPARD (0.40) 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 3 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-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 243/4885PDGFRB 2675/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARD 452/4885PPARA 243/4885PDGFRB 2675/4885

“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.