SCHEMBL333646

SCHEMBL333646

CCOC(=O)Cc1c(C(=O)OCC)c2cc(O)ccc2n1-c1ccc(N2CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
GAA P10253 4/20 0.54
ALOX15 P16050 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 2/20 0.51
PTGES O14684 1/20 0.51
ALOX5 P09917 6/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.45
HSD17B10 Q99714 2/20 0.45

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
SCHEMBL333824 0.91 NPSR1 (0.68) TSHRNPSR1KMT2AMEN1GAA
SCHEMBL334043 0.86 PTGES (0.61) TSHRNPSR1KMT2AMEN1GAA
SCHEMBL333454 0.86 MEN1 (0.74) TSHRNPSR1KMT2AMEN1GAA
SCHEMBL333699 0.85 MAPT (0.61) TSHRNPSR1KMT2AMEN1GAA
SCHEMBL333995 0.85 USP14 (0.53) TSHRNPSR1KMT2AMEN1PTGES
SCHEMBL333920 0.84 KMT2A (0.57) TSHRNPSR1KMT2AMEN1GAA
SCHEMBL333953 0.84 KMT2A (0.60) TSHRNPSR1KMT2AMEN1GAA
SCHEMBL333739 0.83 KMT2A (0.62) TSHRNPSR1KMT2AMEN1GAA
SCHEMBL333865 0.83 ALOX5 (0.44) TSHRNPSR1KMT2AMEN1ALOX5
SCHEMBL333757 0.82 KMT2A (0.56) TSHRNPSR1KMT2AMEN1ALOX15

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 TSHR 1377/4885NPSR1 144/4885KMT2A 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.