SCHEMBL333940

SCHEMBL333940

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
THRB P10828 2/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 4/20 0.42
MAPT P10636 2/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ATM Q13315 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
SCHEMBL4223256 0.93 PTGES (0.46) PTGESSMN1; SMN2THRBPOLBTP53
SCHEMBL333812 0.92 ALOX5 (0.43) SMN1; SMN2THRBPOLBTP53MAPT
SCHEMBL333479 0.90 TP53 (0.52) SMN1; SMN2THRBPOLBTP53MAPT
SCHEMBL334099 0.90 ALOX5 (0.45) SMN1; SMN2THRBPOLBTP53MAPT
SCHEMBL333467 0.90 SMN1; SMN2 (0.44) PTGESSMN1; SMN2THRBPOLBTP53
SCHEMBL333779 0.87 PPARG (0.47) SMN1; SMN2THRBPOLBTP53MAPT
SCHEMBL360288 0.86 THRB (0.49) PTGESSMN1; SMN2THRBPOLBTP53
SCHEMBL333972 0.86 TP53 (0.45) PTGESSMN1; SMN2THRBPOLBTP53
SCHEMBL335343 0.85 THRB (0.44) SMN1; SMN2THRBPOLBTP53MAPT
SCHEMBL334106 0.85 PTGES (0.49) PTGESSMN1; SMN2THRBPOLBTP53

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 4 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
US-20090042949-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-02-12 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 (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-20090042949-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG PTGES 28/4885SMN1; SMN2 3779/4885THRB 433/4885
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG PTGES 34/4885SMN1; 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.