SCHEMBL333544

SCHEMBL333544

CC(C)Oc1ccc(-n2c(-c3ccc(C(=O)O)cc3)c(C(=O)O)c3cc(Oc4ccc(C(F)(F)F)cc4)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.45
TEAD1 P28347 1/20 0.42
TEAD4 Q15561 1/20 0.42
TEAD2 Q15562 1/20 0.42
TEAD3 Q99594 1/20 0.42
MDM2 Q00987 6/20 0.42
BCL2 P10415 5/20 0.42
MCL1 Q07820 5/20 0.42
PPARG P37231 6/20 0.41
PPARA Q07869 4/20 0.41
KMT2A Q03164 1/20 0.41
PTPN11 Q06124 1/20 0.40
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38

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
SCHEMBL333553 0.88 USP14 (0.45) PTGESMDM2BCL2MCL1PPARG
SCHEMBL333981 0.88 MDM2 (0.44) PTGESMDM2BCL2MCL1PPARG
SCHEMBL335133 0.85 PTPN11 (0.42) PTGESTEAD1TEAD4TEAD2TEAD3
SCHEMBL334015 0.85 KMT2A (0.43) PTGESMDM2BCL2MCL1KMT2A
SCHEMBL1407250 0.85 PPARG (0.51) PTGESPPARGPPARA
SCHEMBL333886 0.84 RXRA (0.45) PTGESMDM2BCL2MCL1PPARG
SCHEMBL333738 0.82 PPARG (0.48) PTGESPPARGPPARA
SCHEMBL334349 0.82 PPARG (0.44) PTGESPPARGPPARAKMT2A
SCHEMBL333811 0.80 PPARG (0.50) PTGESPPARGPPARA
SCHEMBL27717578 0.80 USP14 (0.45) PPARGKMT2ARXRARXRB

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 34/4885TEAD1 1337/4885TEAD4 1066/4885

“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.