SCHEMBL333527

SCHEMBL333527

CCOC(=O)Cc1c(C(=O)OCC)c2cc(Oc3ccc(C(F)(F)F)cc3)ccc2n1-c1cccc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.46
TP53 P04637 4/20 0.46
MAPT P10636 4/20 0.45
PPARG P37231 2/20 0.45
AKR1C2 P52895 2/20 0.45
THRB P10828 2/20 0.44
ATM Q13315 1/20 0.43
ALOX5 P09917 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PPARA Q07869 1/20 0.41
PTGS2 P35354 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL333828 0.92 TP53 (0.49) AKR1C3TP53MAPTPPARGAKR1C2
SCHEMBL333861 0.92 PTGES (0.46) TP53MAPTPPARGTHRBALOX5
SCHEMBL333418 0.91 THRB (0.52) TP53MAPTTHRBALOX5SMN1; SMN2
SCHEMBL333825 0.90 PPARG (0.51) AKR1C3TP53MAPTPPARGAKR1C2
SCHEMBL333680 0.87 PTGES (0.45) TP53MAPTPPARGTHRBALOX5
SCHEMBL333849 0.87 ALOX5 (0.46) AKR1C3TP53MAPTPPARGTHRB
SCHEMBL333651 0.86 USP14 (0.44) TP53MAPTPPARGTHRBALOX5
SCHEMBL334192 0.86 TP53 (0.49) AKR1C3TP53MAPTPPARGAKR1C2
SCHEMBL333761 0.86 TP53 (0.44) AKR1C3TP53MAPTAKR1C2THRB
SCHEMBL333897 0.85 AKR1C3 (0.43) AKR1C3TP53MAPTAKR1C2ATM

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 538/4885TP53 738/4885MAPT 49/4885

“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.