SCHEMBL332939

SCHEMBL332939

CCOC(=O)c1c(C=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
THRB P10828 2/20 0.37
POLB P06746 1/20 0.35
TP53 P04637 6/20 0.35
MAPT P10636 5/20 0.35
PTGES O14684 2/20 0.34
HIF1A Q16665 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33

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
SCHEMBL1407244 0.93 UCHL1 (0.38) UCHL1SMN1; SMN2THRBPOLBTP53
SCHEMBL3005796 0.90 UCHL1 (0.40) UCHL1SMN1; SMN2THRBPOLBTP53
SCHEMBL3579153 0.88 UCHL1 (0.41) UCHL1SMN1; SMN2THRBPOLBTP53
SCHEMBL3013557 0.88 UCHL1 (0.39) UCHL1SMN1; SMN2THRBPOLBTP53
SCHEMBL3007510 0.87 KMT2A (0.44) SMN1; SMN2THRBPOLBTP53MAPT
SCHEMBL3002124 0.86 UCHL1 (0.37) UCHL1SMN1; SMN2THRBPOLBTP53
SCHEMBL333693 0.82 MAPT (0.43) SMN1; SMN2THRBPOLBTP53MAPT
SCHEMBL334136 0.78 PTGES (0.53) SMN1; SMN2THRBPOLBTP53MAPT
SCHEMBL3570481 0.73 UCHL1 (0.39) UCHL1SMN1; SMN2THRBPOLBTP53
SCHEMBL334166 0.73 PTGES (0.40) 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 8 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-08-05 US 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
EP-1841736-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077367-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMATION BIOLIPOX AB (SE) 2006-07-27 WO 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 (2 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, TPH1 UCHL1 2616/4885SMN1; SMN2 3984/4885THRB 334/4885
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG UCHL1 2501/4885SMN1; SMN2 3963/4885THRB 575/4885

“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.