SCHEMBL5096477

SCHEMBL5096477

Cc1nc(-c2ccc(Br)cc2)sc1COc1ccc(CCC(=O)O)c2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.47
PPARD Q03181 13/20 0.45
PPARA Q07869 8/20 0.45
MKNK1 Q9BUB5 1/20 0.39
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
FFAR1 O14842 5/20 0.37
P2RX3 P56373 1/20 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
SCHEMBL5102374 0.91 PPARD (0.57) PPARGPPARDPPARAFFAR1
SCHEMBL5096638 0.84 PPARD (0.48) PPARGPPARDPPARAFFAR1
SCHEMBL5090441 0.83 PPARD (0.47) PPARGPPARDPPARAFFAR1
SCHEMBL5090327 0.82 PPARG (0.65) PPARGPPARDPPARAFFAR1
SCHEMBL14138236 0.82 PPARD (0.46) PPARGPPARDPPARAFFAR1
SCHEMBL5096372 0.82 PPARG (0.48) PPARGPPARDPPARARXRARXRB
SCHEMBL14097748 0.81 PPARG (0.45) PPARGPPARDPPARAFFAR1
SCHEMBL5102589 0.79 PPARG (0.50) PPARGPPARDPPARAFFAR1P2RX3
SCHEMBL5096381 0.75 PPARG (0.54) PPARGPPARDPPARAFFAR1
SCHEMBL5093864 0.75 PPARG (0.72) PPARGPPARDPPARAFFAR1

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 1/4885PPARD 2/4885PPARA 3/4885

“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.