SCHEMBL333502

SCHEMBL333502

COc1ccc(-n2c(CC(=O)O)c(C(=O)O)c3cc(Oc4ccc(C(F)(F)F)cc4)ccc32)nc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.47
AKR1C2 P52895 3/20 0.47
PPARA Q07869 3/20 0.41
PPARD Q03181 1/20 0.41
PPARG P37231 4/20 0.41
PTGS2 P35354 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
THRB P10828 1/20 0.36
PTPN11 Q06124 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
SCHEMBL1406903 0.93 AKR1C3 (0.41) AKR1C3AKR1C2PPARAPPARDPPARG
SCHEMBL334428 0.86 AKR1C3 (0.50) AKR1C3AKR1C2PPARAPPARDPPARG
SCHEMBL333897 0.84 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2MEN1KMT2A
SCHEMBL333222 0.81 PPARG (0.47) AKR1C3AKR1C2PPARAPPARDPPARG
SCHEMBL1407268 0.80 PPARG (0.50) AKR1C3AKR1C2PPARAPPARGPTGS2
SCHEMBL334429 0.79 PPARA (0.45) AKR1C3AKR1C2PPARAPPARDPPARG
SCHEMBL333682 0.79 PTGDR2 (0.46) AKR1C3AKR1C2PPARAPPARDPPARG
SCHEMBL333774 0.79 PPARG (0.46) AKR1C3AKR1C2PPARAPPARDPPARG
SCHEMBL334171 0.78 PPARG (0.47) AKR1C3AKR1C2PPARAPPARDPPARG
SCHEMBL334110 0.78 MEN1 (0.44) AKR1C3AKR1C2PPARAPPARDPPARG

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 AKR1C3 538/4885AKR1C2 1019/4885PPARA 3590/4885

“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.