SCHEMBL334941

SCHEMBL334941

CCOC(=O)Cc1c(C(=O)OCC)c2cc(O)ccc2n1-c1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
HPGD P15428 4/20 0.58
LMNA P02545 4/20 0.58
MAPT P10636 3/20 0.58
TSHR P16473 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALOX15 P16050 5/20 0.48
GAA P10253 5/20 0.48
HSD17B10 Q99714 4/20 0.48
MAPK1 P28482 4/20 0.48
HTT P42858 2/20 0.48
PTGES O14684 1/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
ALOX5 P09917 5/20 0.43

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
SCHEMBL334353 0.83 EDNRA (0.41) SMN1; SMN2HPGDLMNAMAPTTSHR
SCHEMBL334043 0.82 PTGES (0.61) SMN1; SMN2HPGDLMNAMAPTTSHR
SCHEMBL333824 0.82 NPSR1 (0.68) LMNAMAPTTSHRNPSR1MEN1
SCHEMBL333454 0.82 MEN1 (0.74) SMN1; SMN2HPGDLMNAMAPTTSHR
SCHEMBL333699 0.81 MAPT (0.61) SMN1; SMN2HPGDLMNAMAPTTSHR
SCHEMBL333646 0.81 TSHR (0.58) LMNAMAPTTSHRNPSR1MEN1
SCHEMBL333920 0.81 KMT2A (0.57) SMN1; SMN2HPGDLMNAMAPTTSHR
SCHEMBL333666 0.81 PTGES (0.64) SMN1; SMN2HPGDLMNAMAPTTSHR
SCHEMBL333953 0.81 KMT2A (0.60) SMN1; SMN2HPGDLMNAMAPTTSHR
SCHEMBL333866 0.80 MEN1 (0.59) SMN1; SMN2HPGDLMNAMAPTTSHR

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 SMN1; SMN2 3963/4885HPGD 273/4885LMNA 3579/4885

“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.