SCHEMBL334429

SCHEMBL334429

O=C(O)Cc1ccc(-n2c(CC(=O)O)c(C(=O)O)c3cc(Oc4ccc(C(F)(F)F)cc4)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.45
PPARD Q03181 2/20 0.45
PPARG P37231 8/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 1/20 0.42
THRB P10828 3/20 0.42
SCN9A Q15858 1/20 0.42
CYP2C9 P11712 1/20 0.41
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
THRA P10827 1/20 0.41
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL333222 0.92 PPARG (0.47) PPARAPPARDPPARGSMN1; SMN2AKR1C3
SCHEMBL333774 0.91 PPARG (0.46) PPARAPPARDPPARGAKR1C3AKR1C2
SCHEMBL334428 0.91 AKR1C3 (0.50) PPARAPPARDPPARGSMN1; SMN2AKR1C3
SCHEMBL333682 0.91 PTGDR2 (0.46) PPARAPPARDPPARGAKR1C3AKR1C2
SCHEMBL333728 0.89 ALOX5 (0.45) PPARAPPARDPPARGSMN1; SMN2AKR1C3
SCHEMBL334110 0.89 MEN1 (0.44) PPARAPPARDPPARGAKR1C3AKR1C2
SCHEMBL334349 0.89 PPARG (0.44) PPARAPPARDPPARGAKR1C3AKR1C2
SCHEMBL334171 0.89 PPARG (0.47) PPARAPPARDPPARGAKR1C3AKR1C2
SCHEMBL333421 0.87 AKR1C3 (0.41) PPARAPPARDPPARGAKR1C3AKR1C2
SCHEMBL334181 0.87 PPARG (0.43) PPARAPPARDPPARGAKR1C3AKR1C2

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 3 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

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 PPARA 3590/4885PPARD 3160/4885PPARG 2451/4885

“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.