SCHEMBL5090306

SCHEMBL5090306

Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C(C)Oc1ccc(CCC(=O)O)c2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.50
PPARA Q07869 11/20 0.49
PPARD Q03181 9/20 0.48
S1PR3 Q99500 3/20 0.36
S1PR5 Q9H228 3/20 0.36
S1PR1 P21453 2/20 0.36
MMP13 P45452 1/20 0.35
CTSS P25774 1/20 0.35
C5AR1 P21730 1/20 0.34

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
SCHEMBL5102545 0.93 PPARG (0.43) PPARGPPARAPPARDS1PR3S1PR5
SCHEMBL5096381 0.87 PPARG (0.54) PPARGPPARAPPARDS1PR3S1PR5
SCHEMBL5094056 0.80 PPARD (0.55) PPARGPPARAPPARDS1PR3S1PR5
SCHEMBL5102374 0.79 PPARD (0.57) PPARGPPARAPPARD
SCHEMBL5093890 0.78 PPARG (0.57) PPARGPPARAPPARDS1PR3S1PR5
SCHEMBL5096372 0.78 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL5096465 0.78 PPARG (0.66) PPARGPPARAPPARDS1PR3S1PR5
SCHEMBL5102412 0.77 PPARG (0.67) PPARGPPARAPPARD
SCHEMBL5090371 0.77 PPARG (0.55) PPARGPPARAPPARDS1PR3S1PR5
SCHEMBL5093864 0.76 PPARG (0.72) PPARGPPARAPPARD

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 5 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
EP-1687299-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS, USEFUL FOR THE TREAMTMENT AND/OR PREVENTION OF DISORDERS MODULATED BY A PPAR ELI LILLY AND COMPANY (US) 2006-08-09 EP disclosed
WO-2005051945-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) 2005-06-09 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-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.