SCHEMBL333611

SCHEMBL333611

O=C(O)Cc1c(C(=O)O)c2cc(Oc3ccc(Cl)cc3)ccc2n1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.47
USP14 P54578 2/20 0.46
DHODH Q02127 1/20 0.42
PPARA Q07869 1/20 0.41
PTGS2 P35354 2/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
MAPT P10636 2/20 0.39
CYP2C9 P11712 2/20 0.39
PMP22 Q01453 2/20 0.39
HIF1A Q16665 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PTGES O14684 1/20 0.39
ABCC3 O15438 1/20 0.39
ABCC4 O15439 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
SCHEMBL333879 0.93 PPARG (0.41) PPARGUSP14DHODHPPARAPTGS2
SCHEMBL10076916 0.92 PPARG (0.47) PPARGUSP14PPARAMEN1KMT2A
SCHEMBL333845 0.92 PPARG (0.42) PPARGUSP14PPARAHIF1AKDM4E
SCHEMBL1407175 0.91 PPARG (0.39) PPARGUSP14DHODHPPARAMEN1
SCHEMBL333682 0.90 PTGDR2 (0.46) PPARGUSP14PPARAPTGS2MEN1
SCHEMBL333774 0.90 PPARG (0.46) PPARGPPARAMEN1KMT2AAKR1C3
SCHEMBL333868 0.90 USP14 (0.47) PPARGUSP14PTGS2MEN1KMT2A
SCHEMBL333656 0.89 PPARG (0.43) PPARGUSP14PPARAMEN1KMT2A
SCHEMBL334162 0.88 USP14 (0.52) PPARGUSP14PPARAPTGS2MEN1
SCHEMBL333665 0.88 MEN1 (0.44) PPARGUSP14PPARAMEN1KMT2A

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
CN-101142185-A Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2008-03-12 CN 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 2451/4885USP14 3873/4885DHODH 3854/4885

“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.