SCHEMBL334192

SCHEMBL334192

CCOC(=O)Cc1c(C(=O)OCC)c2cc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2n1-c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.45
PPARG P37231 3/20 0.43
PTGS2 P35354 1/20 0.43
ATM Q13315 1/20 0.43
THRB P10828 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX5 P09917 2/20 0.41
AKR1C3 P42330 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PPARA Q07869 1/20 0.41
POLB P06746 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 0.94 TP53 (0.49) TP53MEN1KMT2AMAPTPPARG
SCHEMBL333825 0.93 PPARG (0.51) TP53MEN1KMT2AMAPTPPARG
SCHEMBL333849 0.87 ALOX5 (0.46) TP53MEN1KMT2AMAPTPPARG
SCHEMBL333527 0.86 AKR1C3 (0.46) TP53MEN1KMT2AMAPTPPARG
SCHEMBL333651 0.86 USP14 (0.44) TP53MEN1KMT2AMAPTPPARG
SCHEMBL333418 0.86 THRB (0.52) TP53MEN1KMT2AMAPTPTGS2
SCHEMBL333812 0.84 ALOX5 (0.43) TP53MEN1KMT2AMAPTPPARG
SCHEMBL334124 0.84 ALOX5 (0.43) TP53MEN1KMT2AMAPTPPARG
SCHEMBL333567 0.84 ALOX5 (0.43) TP53MEN1KMT2AMAPTPPARG
SCHEMBL333779 0.84 PPARG (0.47) TP53MAPTPPARGTHRBSMN1; SMN2

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 TP53 738/4885MEN1 2066/4885KMT2A 3484/4885

“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.