SCHEMBL333824

SCHEMBL333824

CCOC(=O)Cc1c(C(=O)OCC)c2cc(O)ccc2n1-c1ccc(N2CCOCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.68
TSHR P16473 1/20 0.68
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
MAPT P10636 5/20 0.50
GAA P10253 4/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
PTGES O14684 1/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
ALOX5 P09917 5/20 0.46
ALOX15 P16050 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TP53 P04637 1/20 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
SCHEMBL333646 0.91 TSHR (0.58) NPSR1TSHRKMT2AMEN1MAPT
SCHEMBL334043 0.85 PTGES (0.61) NPSR1TSHRKMT2AMEN1MAPT
SCHEMBL333454 0.85 MEN1 (0.74) NPSR1TSHRKMT2AMEN1MAPT
SCHEMBL333699 0.84 MAPT (0.61) NPSR1TSHRKMT2AMEN1MAPT
SCHEMBL333953 0.83 KMT2A (0.60) NPSR1TSHRKMT2AMEN1MAPT
SCHEMBL333920 0.83 KMT2A (0.57) NPSR1TSHRKMT2AMEN1MAPT
SCHEMBL333345 0.83 NPSR1 (0.48) NPSR1TSHRKMT2AMEN1MAPT
SCHEMBL333739 0.82 KMT2A (0.62) NPSR1TSHRKMT2AMEN1MAPT
SCHEMBL334941 0.82 SMN1; SMN2 (0.58) NPSR1TSHRKMT2AMEN1MAPT
SCHEMBL334361 0.82 ALOX5 (0.61) NPSR1TSHRKMT2AMEN1MAPT

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 NPSR1 144/4885TSHR 1377/4885KMT2A 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.