SCHEMBL4699428

SCHEMBL4699428

CC(=O)N(C)c1c(C(=O)O)n(-c2ccc(OC(C)C)cc2)c2ccc(-c3ccc(C(C)(C)C)cc3)cc12

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.60
PPARG P37231 17/20 0.42
PPARA Q07869 6/20 0.42

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
SCHEMBL4698609 0.89 PTGES (0.51) PTGESPPARGPPARA
SCHEMBL4027503 0.85 PTGES (0.71) PTGESPPARGPPARA
SCHEMBL3002045 0.84 PTGES (0.59) PTGESPPARGPPARA
SCHEMBL4702282 0.84 PTGES (0.43) PTGESPPARGPPARA
SCHEMBL4922054 0.84 PPARG (0.47) PTGESPPARGPPARA
SCHEMBL4027202 0.84 PTGES (0.64) PTGESPPARGPPARA
SCHEMBL3013326 0.83 PTGES (0.62) PTGESPPARGPPARA
SCHEMBL4699431 0.81 PTGES (0.58) PTGESPPARGPPARA
Hydrochloric Acid SCHEMBL333805 0.81 PTGES (0.55) PTGESPPARGPPARA
SCHEMBL4924007 0.80 PPARG (0.47) PTGESPPARGPPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778633-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-12-03 EP disclosed
US-20080188473-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2008-08-07 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-20080188473-A1 Indoles Useful in the Treatment of Inflammation IDO1, PTGS1, PTGER1 PTGES 4/4885PPARG 753/4885PPARA 1228/4885

“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.