SCHEMBL2809209

SCHEMBL2809209

CCOC(=O)c1c(Cc2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1cc(O)cc(OCC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.40
EDNRA P25101 4/20 0.40
PPARG P37231 6/20 0.40
CNR2 P34972 1/20 0.39
MAPT P10636 2/20 0.39
MAPK10 P53779 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FOLH1 Q04609 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
SCHEMBL2809099 0.90 PPARG (0.42) EDNRBEDNRAPPARGCNR2MAPT
SCHEMBL2805778 0.86 PPARG (0.46) PPARGMAPTMAPK10MEN1KMT2A
SCHEMBL2809341 0.85 EDNRB (0.46) EDNRBEDNRAPPARGMAPTMAPK10
SCHEMBL6851282 0.82 ALDH1A1 (0.48) PPARGCNR2MAPTMAPK10ALDH1A1
SCHEMBL2811675 0.81 EDNRB (0.45) EDNRBEDNRAPPARGMAPTMAPK10
SCHEMBL2806952 0.81 PPARG (0.48) PPARGMAPTMAPK10MEN1KMT2A
SCHEMBL13131816 0.80 EDNRB (0.44) EDNRBEDNRAPPARGALDH1A1MEN1
SCHEMBL2806043 0.79 SERPINE1 (0.41) PPARGMAPTKMT2AFOLH1
Hydrochloric Acid SCHEMBL2810715 0.79 EDNRB (0.43) EDNRBEDNRAPPARGALDH1A1MEN1
SCHEMBL2810129 0.79 EDNRB (0.43) EDNRBEDNRAPPARGMEN1KMT2A

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-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 US disclosed
US-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 US disclosed
US-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 US disclosed
WO-2008028118-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SMITHKLINE BEECHAM CORPORAITON (US) 2008-03-06 WO 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-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators PPARD, PPARA, PPARG EDNRB 452/4885EDNRA 211/4885PPARG 3/4885

“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.