SCHEMBL4616100

SCHEMBL4616100

COc1ccc(CCC(Cc2ccccc2)NC(=O)c2cccc(Oc3ccc(OCC(=O)O)c(C)c3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
PPARD Q03181 7/20 0.44
GPR139 Q6DWJ6 1/20 0.43
F2 P00734 2/20 0.42
ELANE P08246 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL5422973 0.90 FFAR1 (0.48) TAS1R3TAS1R1FFAR1FFAR4PPARD
SCHEMBL4635056 0.87 PPARG (0.55) TAS1R3TAS1R1PPARDGPR139LMNA
SCHEMBL5429402 0.80 MMP13 (0.53) PPARDALDH1A1SMN1; SMN2PKMHTT
SCHEMBL4616094 0.79 LPAR1 (0.55) FFAR1FFAR4PPARDF2ELANE
SCHEMBL4617143 0.76 PPARG (0.53) FFAR1FFAR4PPARDGPR139LMNA
SCHEMBL4615912 0.75 PPARG (0.59) PPARDPPARGPPARA
SCHEMBL4616574 0.75 PPARG (0.61) PPARDLMNAALDH1A1SMN1; SMN2PPARG
SCHEMBL4614303 0.74 PPARG (0.56) FFAR1FFAR4PPARDPPARGPPARA
SCHEMBL4616750 0.74 PPARD (0.51) FFAR1FFAR4PPARDF2ELANE
SCHEMBL5412324 0.72 PPARG (0.46) TAS1R3TAS1R1PPARDLMNAALDH1A1

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
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 WO 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-20070082907-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD TAS1R3 3093/4885TAS1R1 2778/4885FFAR1 11/4885

“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.