SCHEMBL333995

SCHEMBL333995

CCOC(=O)Cc1c(C(=O)OCC)c2cc(Oc3ccc(Cl)cc3)ccc2n1-c1ccc(N2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP14 P54578 6/20 0.53
PTGS2 P35354 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALOX5 P09917 1/20 0.43
PTGES O14684 1/20 0.42
TP53 P04637 2/20 0.42
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL333865 0.90 ALOX5 (0.44) USP14TSHRNPSR1ALOX5TP53
SCHEMBL333571 0.87 TP53 (0.55) USP14PTGS2TSHRNPSR1PTGES
SCHEMBL333484 0.87 USP14 (0.45) USP14PTGS2PTGESTP53THRB
SCHEMBL334022 0.85 MEN1 (0.44) USP14PTGS2PTGESTP53THRB
SCHEMBL333651 0.85 USP14 (0.44) USP14PTGS2ALOX5PTGESTP53
SCHEMBL333646 0.85 TSHR (0.58) TSHRNPSR1ALOX5PTGESMAPT
SCHEMBL333485 0.82 USP14 (0.56) USP14SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL333345 0.82 NPSR1 (0.48) TSHRNPSR1ALOX5TP53THRB
SCHEMBL334043 0.80 PTGES (0.61) TSHRNPSR1ALOX5PTGESSMN1; SMN2
SCHEMBL333979 0.80 PTGES (0.55) USP14TSHRNPSR1PTGESTP53

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 USP14 3873/4885PTGS2 164/4885TSHR 1377/4885

“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.