SCHEMBL333739

SCHEMBL333739

CCOC(=O)Cc1c(C(=O)OCC)c2cc(O)ccc2n1-c1ccc(N(CC)CC)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
TSHR P16473 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PTGES O14684 1/20 0.51
MAPT P10636 4/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 3/20 0.46
ALOX5 P09917 5/20 0.46
GAA P10253 5/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 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
SCHEMBL333953 0.91 KMT2A (0.60) KMT2AMEN1TSHRNPSR1PTGES
SCHEMBL334043 0.87 PTGES (0.61) KMT2AMEN1TSHRNPSR1PTGES
SCHEMBL333454 0.86 MEN1 (0.74) KMT2AMEN1TSHRNPSR1PTGES
SCHEMBL333699 0.86 MAPT (0.61) KMT2AMEN1TSHRNPSR1PTGES
SCHEMBL333920 0.85 KMT2A (0.57) KMT2AMEN1TSHRNPSR1PTGES
SCHEMBL334022 0.84 MEN1 (0.44) KMT2AMEN1PTGESMAPTKDM4E
SCHEMBL333921 0.84 PTGS2 (0.50) KMT2AMEN1TSHRNPSR1PTGES
SCHEMBL334361 0.83 ALOX5 (0.61) KMT2AMEN1TSHRNPSR1PTGES
SCHEMBL333646 0.83 TSHR (0.58) KMT2AMEN1TSHRNPSR1PTGES
SCHEMBL333757 0.83 KMT2A (0.56) KMT2AMEN1TSHRNPSR1PTGES

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 KMT2A 3484/4885MEN1 2066/4885TSHR 1377/4885

“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.