SCHEMBL335133

SCHEMBL335133

CC(C)Oc1ccc(-n2c(-c3ccc(C(=O)O)cc3)c(C(=O)O)c3cc(-c4ccc(C(F)(F)F)cn4)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.42
PTGES O14684 3/20 0.42
TEAD1 P28347 1/20 0.40
TEAD4 Q15561 1/20 0.40
TEAD2 Q15562 1/20 0.40
TEAD3 Q99594 1/20 0.40
KMT2A Q03164 1/20 0.38
PIM3 Q86V86 2/20 0.38
GCK P35557 1/20 0.36
MDM2 Q00987 5/20 0.36
MCL1 Q07820 4/20 0.36
BCL2 P10415 3/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
MCHR1 Q99705 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 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
SCHEMBL27717373 0.89 TEAD1 (0.41) PTPN11TEAD1TEAD4TEAD2TEAD3
SCHEMBL334396 0.88 PTGES (0.45) PTPN11PTGESPPARGPPARA
SCHEMBL333544 0.85 PTGES (0.45) PTPN11PTGESTEAD1TEAD4TEAD2
SCHEMBL333748 0.85 PTGES (0.42) PTPN11PTGESTEAD1TEAD4TEAD2
SCHEMBL3006446 0.85 PTGES (0.44) PTGESKMT2APPARGPPARA
SCHEMBL3001794 0.83 PTGES (0.45) PTPN11PTGESPPARGPPARA
SCHEMBL3011271 0.83 PTGES (0.45) PTPN11PTGESPPARGPPARA
SCHEMBL3572273 0.82 PTGES (0.45) PTGESPPARGPPARA
SCHEMBL334036 0.82 PTGES (0.49) PTPN11PTGESTEAD1TEAD4TEAD2
SCHEMBL334220 0.82 PTGES (0.48) PTPN11PTGESTEAD1TEAD4TEAD2

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 PTPN11 2080/4885PTGES 34/4885TEAD1 1337/4885

“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.