SCHEMBL334110

SCHEMBL334110

CN(C)c1ccc(-n2c(CC(=O)O)c(C(=O)O)c3cc(Oc4ccc(C(F)(F)F)cc4)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
PPARG P37231 14/20 0.42
PPARA Q07869 7/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 1/20 0.42
PPARD Q03181 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL334181 0.91 PPARG (0.43) MEN1KMT2APPARGPPARAAKR1C3
SCHEMBL333665 0.91 MEN1 (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL334428 0.90 AKR1C3 (0.50) MEN1KMT2AMAPTTSHRMAPK1
SCHEMBL334429 0.89 PPARA (0.45) MEN1KMT2APPARGPPARAAKR1C3
SCHEMBL333222 0.88 PPARG (0.47) ALDH1A1MAPTPPARGPPARAAKR1C3
SCHEMBL333774 0.88 PPARG (0.46) MEN1KMT2APPARGPPARAAKR1C3
SCHEMBL333682 0.88 PTGDR2 (0.46) MEN1KMT2APPARGPPARAAKR1C3
SCHEMBL334349 0.87 PPARG (0.44) MEN1KMT2APPARGPPARAAKR1C3
SCHEMBL334171 0.87 PPARG (0.47) MEN1KMT2APPARGPPARAAKR1C3
SCHEMBL333421 0.84 AKR1C3 (0.41) LMNAMAPTTSHRPPARGPPARA

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 5 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
EP-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 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-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG MEN1 2066/4885KMT2A 3484/4885ALDH1A1 2276/4885

“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.