SCHEMBL333994

SCHEMBL333994

CCOC(=O)CCc1c(C(=O)OCC)n(-c2ccc(OC(C)C)cc2)c2ccc(-c3ccc(C(F)(F)F)cn3)cc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
POLB P06746 1/20 0.35
SCN9A Q15858 2/20 0.35
AKR1C3 P42330 2/20 0.34
EZH2 Q15910 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKR1C2 P52895 1/20 0.33
GCK P35557 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL3008051 0.92 KDM4E (0.39) PTGESKDM4EL3MBTL1PPARGPPARA
SCHEMBL2997378 0.89 PTGES (0.37) PTGESKDM4EL3MBTL1PPARGPPARA
SCHEMBL3001790 0.89 KDM4E (0.40) PTGESKDM4EL3MBTL1PPARGPPARA
SCHEMBL2997500 0.88 KDM4E (0.40) PTGESKDM4EL3MBTL1PPARGPPARA
SCHEMBL3006452 0.87 KDM4E (0.39) PTGESKDM4EL3MBTL1PPARGPPARA
SCHEMBL3001004 0.87 KDM4E (0.39) PTGESKDM4EL3MBTL1PPARGPPARA
SCHEMBL3000835 0.86 KMT2A (0.43) PTGESKDM4EL3MBTL1PPARGPPARA
SCHEMBL3007518 0.86 PTGES (0.37) PTGESKDM4EL3MBTL1PPARGPPARA
SCHEMBL334166 0.86 PTGES (0.40) PTGESKDM4EL3MBTL1PPARGPPARA
SCHEMBL3010510 0.86 PTGES (0.38) PTGESKDM4EL3MBTL1PPARGPPARA

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 34/4885KDM4E 1104/4885L3MBTL1 2281/4885

“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.