SCHEMBL6060716

SCHEMBL6060716

COc1ccc(OC(=O)N(CCCC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.81
PPARG P37231 16/20 0.81
FFAR1 O14842 1/20 0.55

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
Muraglitazar SCHEMBL676469 0.90 PPARA (1.00) PPARAPPARG
SCHEMBL14599062 0.89 PPARG (0.85) PPARAPPARG
SCHEMBL13722049 0.88 PPARA (0.93) PPARAPPARG
SCHEMBL6342308 0.86 PPARA (0.87) PPARAPPARG
SCHEMBL13718146 0.86 PPARA (0.93) PPARAPPARG
SCHEMBL6073227 0.84 PPARA (0.90) PPARAPPARG
SCHEMBL13720646 0.84 PPARA (0.67) PPARAPPARG
SCHEMBL13720928 0.84 PPARA (0.74) PPARAPPARG
SCHEMBL6073514 0.84 PPARA (0.88) PPARAPPARG
SCHEMBL8215885 0.84 PPARA (0.88) PPARAPPARG

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
US-20060177444-A1 Concomitant drug as therapeutic agent for inflammatory bowel disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-10 US disclosed
EP-1607103-A1 CONCOMITANT DRUG AS THERAPEUTIC AGENT FOR INFLAMMATORY BOWEL DISEASE Eisai Co., Ltd. (JP) 2005-12-21 EP 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-20060177444-A1 Concomitant drug as therapeutic agent for inflammatory bowel disease PPARG, PPARA, NR3C1 PPARA 2/4885PPARG 1/4885FFAR1 250/4885

“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.