SCHEMBL12801431

SCHEMBL12801431

COC(=O)C(Br)Cc1cc2onc(CCc3sc4cc(C(F)(F)F)ccc4c3C(C)C)c2cc1C

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.45
PPARD Q03181 4/20 0.45
PPARA Q07869 4/20 0.45
LDHA P00338 1/20 0.31
LDHB P07195 1/20 0.31

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
SCHEMBL12732587 0.90 PPARG (0.37) PPARGPPARDPPARA
SCHEMBL1034190 0.89 PPARA (0.41) PPARGPPARDPPARA
SCHEMBL1032975 0.84 PPARD (0.48) PPARGPPARDPPARALDHALDHB
SCHEMBL1672550 0.84 PPARG (0.48) PPARGPPARDPPARA
SCHEMBL24742133 0.83 PPARG (0.44) PPARGPPARDPPARALDHALDHB
SCHEMBL30003526 0.83 PPARG (0.44) PPARGPPARDPPARALDHALDHB
SCHEMBL1034117 0.82 PPARG (0.47) PPARGPPARDPPARA
SCHEMBL1031555 0.81 PPARG (0.45) PPARGPPARDPPARA
SCHEMBL1033114 0.81 PPARG (0.47) PPARGPPARDPPARALDHALDHB
SCHEMBL12648232 0.81 PPARG (0.46) PPARGPPARDPPARA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092517-A1 Use of PPAR Delta Ligands for the Treatment or Prevention of Inflammation or Energy Metabolism/Production Related Diseases Cerenis Therapeutics S.A. & Nippon Chemiphar Co., Ltd. 2011-04-21 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-20110092517-A1 Use of PPAR Delta Ligands for the Treatment or Prevention of Inflammation or Energy Metabolism/Production Related Diseases PPARD, PPARG, PPARA PPARG 2/4885PPARD 1/4885PPARA 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.