SCHEMBL334361

SCHEMBL334361

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.61
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
MAPT P10636 4/20 0.52
HTT P42858 3/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TSHR P16473 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
PTGES O14684 1/20 0.51
HPGD P15428 2/20 0.47
ALOX15 P16050 2/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.45
HIF1A Q16665 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL333935 0.93 ALOX5 (0.52) ALOX5KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL333699 0.89 MAPT (0.61) ALOX5KMT2AMEN1MAPTHTT
SCHEMBL333757 0.86 KMT2A (0.56) ALOX5KMT2AMEN1MAPTHTT
SCHEMBL333849 0.86 ALOX5 (0.46) ALOX5KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL334043 0.86 PTGES (0.61) ALOX5KMT2AMEN1MAPTHTT
SCHEMBL333454 0.86 MEN1 (0.74) ALOX5KMT2AMEN1MAPTHTT
SCHEMBL334059 0.85 ALOX5 (0.45) ALOX5KMT2AMEN1MAPTPTGES
SCHEMBL333819 0.85 ALOX5 (0.45) ALOX5KMT2AMEN1MAPTPTGES
SCHEMBL334099 0.85 ALOX5 (0.45) ALOX5KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL333846 0.85 ALOX5 (0.45) ALOX5KMT2AMEN1MAPTMAPK1

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 ALOX5 1146/4885KMT2A 3484/4885MEN1 2066/4885

“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.