SCHEMBL334776

SCHEMBL334776

CCOC(=O)Cc1c(C(=O)OCC)c2cc(Oc3nc(C)ccc3C#N)ccc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
THRB P10828 2/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 5/20 0.38
MAPT P10636 3/20 0.38
GPR55 Q9Y2T6 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
RAD52 P43351 1/20 0.35

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
SCHEMBL333916 0.94 THRB (0.41) SMN1; SMN2THRBPOLBTP53MAPT
SCHEMBL334002 0.87 SMN1; SMN2 (0.43) SMN1; SMN2THRBPOLBTP53MAPT
SCHEMBL333479 0.81 TP53 (0.52) SMN1; SMN2THRBPOLBTP53MAPT
SCHEMBL360288 0.81 THRB (0.49) SMN1; SMN2THRBPOLBTP53MAPT
SCHEMBL333467 0.81 SMN1; SMN2 (0.44) SMN1; SMN2THRBPOLBTP53MAPT
SCHEMBL333757 0.79 KMT2A (0.56) SMN1; SMN2THRBPOLBTP53MAPT
SCHEMBL334099 0.79 ALOX5 (0.45) SMN1; SMN2THRBPOLBTP53MAPT
SCHEMBL333940 0.79 PTGES (0.44) SMN1; SMN2THRBPOLBTP53MAPT
SCHEMBL333405 0.79 TP53 (0.42) SMN1; SMN2THRBPOLBTP53MAPT
SCHEMBL334106 0.79 PTGES (0.49) SMN1; SMN2THRBPOLBTP53MAPT

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 SMN1; SMN2 3963/4885THRB 575/4885POLB 4401/4885

“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.