SCHEMBL5090441

SCHEMBL5090441

CCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(CCC(=O)O)c2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.47
PPARA Q07869 12/20 0.47
PPARG P37231 11/20 0.47
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 2/20 0.38

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
SCHEMBL14097748 0.94 PPARG (0.45) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL5102589 0.92 PPARG (0.50) PPARDPPARAPPARGFFAR1
SCHEMBL5102374 0.92 PPARD (0.57) PPARDPPARAPPARGFFAR1
SCHEMBL5096372 0.91 PPARG (0.48) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL5096638 0.85 PPARD (0.48) PPARDPPARAPPARGFFAR1
SCHEMBL5096477 0.83 PPARG (0.47) PPARDPPARAPPARGFFAR1
SCHEMBL14138236 0.82 PPARD (0.46) PPARDPPARAPPARGFFAR1
SCHEMBL5096381 0.80 PPARG (0.54) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL6625090 0.77 PPARD (0.61) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL5090306 0.75 PPARG (0.50) PPARDPPARAPPARG

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 PPARD 2/4885PPARA 3/4885PPARG 1/4885

“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.