SCHEMBL334163

SCHEMBL334163

CC(C)c1ccc(-n2c(CC(=O)O)c(C(=O)O)c3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.39
TEAD1 P28347 1/20 0.39
TEAD4 Q15561 1/20 0.39
TEAD2 Q15562 1/20 0.39
TEAD3 Q99594 1/20 0.39
FFAR1 O14842 3/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
GCGR P47871 4/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CYP2C9 P11712 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL27717651 0.92 PPARG (0.39) PPARGTEAD1TEAD4TEAD2TEAD3
SCHEMBL27717361 0.88 PTGDR2 (0.36) PPARGTEAD1TEAD4TEAD2TEAD3
SCHEMBL334171 0.88 PPARG (0.47) PPARGAKR1C3AKR1C2PPARDPPARA
SCHEMBL333818 0.82 PPARG (0.52) PPARGAKR1C3AKR1C2PPARA
SCHEMBL332665 0.82 PTGES (0.45) SMN1; SMN2
SCHEMBL334349 0.78 PPARG (0.44) PPARGAKR1C3AKR1C2PTGDR2PPARD
SCHEMBL333748 0.77 PTGES (0.42) PPARGTEAD1TEAD4TEAD2TEAD3
SCHEMBL334428 0.77 AKR1C3 (0.50) PPARGAKR1C3AKR1C2SMN1; SMN2PPARD
SCHEMBL333682 0.77 PTGDR2 (0.46) PPARGAKR1C3AKR1C2PTGDR2PPARD
SCHEMBL334429 0.75 PPARA (0.45) PPARGAKR1C3AKR1C2CYP2C9RXRA

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 PPARG 2451/4885TEAD1 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.