SCHEMBL5096465

SCHEMBL5096465

CCCOC(=O)N1CCc2c(OCc3oc(-c4ccc(C(F)(F)F)cc4)nc3C)ccc(CCC(=O)O)c2C1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.66
PPARA Q07869 13/20 0.66
PPARD Q03181 10/20 0.66
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37

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
SCHEMBL5094056 0.92 PPARD (0.55) PPARGPPARAPPARDS1PR3S1PR5
SCHEMBL5096381 0.90 PPARG (0.54) PPARGPPARAPPARDS1PR3S1PR5
SCHEMBL5093890 0.90 PPARG (0.57) PPARGPPARAPPARDS1PR3S1PR5
SCHEMBL5090371 0.88 PPARG (0.55) PPARGPPARAPPARDS1PR3S1PR5
SCHEMBL5102363 0.84 PPARG (0.55) PPARGPPARAPPARDS1PR3S1PR5
SCHEMBL5102189 0.81 PPARG (0.60) PPARGPPARAPPARDFFAR4
SCHEMBL5102471 0.79 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL5095981 0.79 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL5102285 0.79 PPARG (0.88) PPARGPPARAPPARD
SCHEMBL5090306 0.78 PPARG (0.50) PPARGPPARAPPARDS1PR3S1PR5

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-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 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-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar PPARG, PPARD, PPARA PPARG 1/4885PPARA 3/4885PPARD 2/4885

“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.