SCHEMBL4922011

SCHEMBL4922011

CC(C)Oc1ccc(-n2c(C(=O)O)c(N3CCCC3=O)c3cc(Oc4ccc(C(F)(F)F)cn4)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.42
PPARA Q07869 2/20 0.42
SCN9A Q15858 10/20 0.41
TP53 P04637 1/20 0.40
LIPE Q05469 3/20 0.40
HRH3 Q9Y5N1 2/20 0.39
HRH1 P35367 1/20 0.39
BCHE P06276 1/20 0.39
SCN7A Q01118 2/20 0.39
KCNH2 Q12809 2/20 0.39
SCN5A Q14524 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39

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
SCHEMBL4916712 0.90 PPARG (0.44) PPARGPPARATP53MAPT
SCHEMBL333775 0.83 PPARG (0.48) PPARGPPARASCN9A
SCHEMBL4916822 0.83 PPARG (0.47) PPARGPPARASCN9A
SCHEMBL4927867 0.81 TP53 (0.40) PPARGPPARATP53MAPT
SCHEMBL333600 0.79 LMNA (0.48) PPARGPPARASCN9AMAPTHTT
SCHEMBL4914755 0.78 PPARG (0.45) PPARGPPARASCN9A
SCHEMBL333599 0.77 LMNA (0.50) PPARGPPARASCN9AMAPTHTT
SCHEMBL333764 0.76 PPARG (0.42) PPARGPPARASCN9A
SCHEMBL4700830 0.76 MCHR1 (0.38) PPARGPPARATP53KCNH2
SCHEMBL4228522 0.75 PTGES (0.59) SCN9ASCN7AKCNH2SCN5ASCN10A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249091-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2008-10-09 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-20080249091-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, ARG1 PPARG 2586/4885PPARA 3339/4885SCN9A 4095/4885

“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.