SCHEMBL333883

SCHEMBL333883

CCOC(=O)c1c(I)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2n1-c1ccc(OC2CCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
PPARA Q07869 3/20 0.38
PPARG P37231 1/20 0.38
LIPE Q05469 1/20 0.38
ADRB2 P07550 1/20 0.37
EPHX2 P34913 2/20 0.37
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TEAD1 P28347 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
P2RY14 Q15391 1/20 0.36
PPARD Q03181 2/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL334231 0.90 PPARG (0.41) FAAHPPARAPPARGADRB2EPHX2
SCHEMBL4700751 0.90 GCK (0.41) FAAHPPARAPPARGLIPEMAOB
SCHEMBL3013914 0.87 P2RY14 (0.37) FAAHPPARAPPARGLIPEADRB2
SCHEMBL3010652 0.86 AKR1C3 (0.35) FAAHPPARAPPARGADRB2EPHX2
SCHEMBL3010730 0.85 FAAH (0.35) FAAHPPARAPPARGLIPEADRB2
SCHEMBL3012527 0.85 PPARA (0.38) FAAHPPARAPPARGADRB2KDM4E
SCHEMBL3010732 0.85 FAAH (0.35) FAAHPPARAPPARGLIPEADRB2
SCHEMBL3112189 0.85 FAAH (0.36) FAAHPPARAPPARGADRB2EPHX2
SCHEMBL3112196 0.85 FAAH (0.36) FAAHPPARAPPARGADRB2EPHX2
SCHEMBL3569793 0.81 GCK (0.40) FAAHPPARAPPARGKDM4EPPARD

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-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-20100197687-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-08-05 US 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 (2 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, TPH1 FAAH 2821/4885PPARA 3519/4885PPARG 2505/4885
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG FAAH 2897/4885PPARA 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.