SCHEMBL332665

SCHEMBL332665

CCOC(=O)Cc1c(C(=O)OCC)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2n1-c1ccc(C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.45
ALOX5 P09917 2/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
THRB P10828 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 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
SCHEMBL334124 0.90 ALOX5 (0.43) PTGESALOX5MEN1KMT2ATHRB
SCHEMBL333541 0.84 PPARG (0.47) PTGESKDM4ETHRBSMN1; SMN2TP53
SCHEMBL333920 0.83 KMT2A (0.57) PTGESALOX5MEN1KMT2AKDM4E
SCHEMBL5508792 0.83 PTGES (0.42) PTGESALOX5MEN1KMT2AKDM4E
SCHEMBL333461 0.82 THRB (0.43) PTGESMEN1KMT2ATSHRNPSR1
SCHEMBL334163 0.82 PPARG (0.39) SMN1; SMN2
SCHEMBL27698393 0.81 PPARG (0.40) PTGESALOX5MEN1KMT2AKDM4E
SCHEMBL333812 0.81 ALOX5 (0.43) ALOX5MEN1KMT2ATHRBSMN1; SMN2
SCHEMBL333651 0.81 USP14 (0.44) PTGESALOX5MEN1KMT2ATHRB
SCHEMBL333828 0.80 TP53 (0.49) ALOX5MEN1KMT2ATSHRTHRB

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 PTGES 34/4885ALOX5 1146/4885MEN1 2066/4885

“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.