SCHEMBL333748

SCHEMBL333748

CC(C)Oc1ccc(-n2c(CC(=O)O)c(C(=O)O)c3cc(-c4ccc(C(F)(F)F)cn4)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.42
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
PPARD Q03181 2/20 0.36
ALOX5AP P20292 1/20 0.36
PTPN11 Q06124 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR Q13258 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CYP1A2 P05177 1/20 0.34
TEAD1 P28347 1/20 0.34
TEAD4 Q15561 1/20 0.34
TEAD2 Q15562 1/20 0.34
TEAD3 Q99594 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL27717361 0.89 PTGDR2 (0.36) PPARAPPARGPTGDR2PPARDALOX5AP
SCHEMBL334396 0.88 PTGES (0.45) PTGESPPARAPPARGPTPN11
SCHEMBL333764 0.87 PPARG (0.42) PTGESPPARAPPARG
SCHEMBL335133 0.85 PTPN11 (0.42) PTGESPPARAPPARGPTPN11KMT2A
SCHEMBL3006446 0.85 PTGES (0.44) PTGESPPARAPPARGMEN1KMT2A
SCHEMBL334349 0.84 PPARG (0.44) PTGESPPARAPPARGPTGDR2PPARD
SCHEMBL3011271 0.83 PTGES (0.45) PTGESPPARAPPARGPTPN11
SCHEMBL3001794 0.83 PTGES (0.45) PTGESPPARAPPARGPTPN11
SCHEMBL3013088 0.83 PTGES (0.45) PTGESPPARAPPARGPTPN11
SCHEMBL3572273 0.82 PTGES (0.45) PTGESPPARAPPARG

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-8097623-B2 1-Aryl-or heteroaryl-3-aryl-or heteroarylindole-2-carboxylic acids or esters: e.g., 5-(4-tert-Butylphenyl)-1,3-bis(4-isopropoxyphenyl)-indole-2-carboxylic acid; inhibition of the activity of microsomal prostaglandin E synthase-1, leukotriene C4 and/or 5-lipoxygenase-activating protein; analgesics BIOLIPOX AB (SE) 2012-01-17 US disclosed
EP-1841735-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2011-03-09 EP disclosed
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-03-19 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-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG PTGES 34/4885PPARA 3590/4885PPARG 2451/4885

“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.