SCHEMBL333916

SCHEMBL333916

CCOC(=O)c1c(CC(=O)O)n(-c2ccc(OC(C)C)cc2)c2ccc(Oc3nc(C)ccc3C#N)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 5/20 0.40
MAPT P10636 4/20 0.40
GPR55 Q9Y2T6 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ATM Q13315 1/20 0.38
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL334776 0.94 SMN1; SMN2 (0.39) THRBSMN1; SMN2TP53MAPTGPR55
SCHEMBL334002 0.81 SMN1; SMN2 (0.43) THRBSMN1; SMN2TP53MAPTKDM4E
SCHEMBL334018 0.81 MEN1 (0.39) THRBSMN1; SMN2TP53MAPTKDM4E
SCHEMBL4223256 0.79 PTGES (0.46) THRBSMN1; SMN2TP53MAPTPOLB
SCHEMBL333871 0.79 MEN1 (0.37) THRBSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL333558 0.79 TP53 (0.43) THRBSMN1; SMN2TP53MAPTPOLB
SCHEMBL335343 0.79 THRB (0.44) THRBSMN1; SMN2TP53MAPTPOLB
SCHEMBL333797 0.78 SMN1; SMN2 (0.42) THRBSMN1; SMN2TP53MAPTPOLB
SCHEMBL333880 0.76 SMN1; SMN2 (0.41) THRBSMN1; SMN2TP53MAPTKDM4E
SCHEMBL334190 0.76 SCN9A (0.45) THRBSMN1; SMN2TP53MAPTPOLB

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 THRB 575/4885SMN1; SMN2 3963/4885TP53 738/4885

“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.