SCHEMBL12648232

SCHEMBL12648232

COC(=O)/C=C/c1cc2onc(CCc3sc4cc(C(F)(F)F)ccc4c3C(C)C)c2cc1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.46
PPARD Q03181 5/20 0.46
PPARA Q07869 5/20 0.46
ESR1 P03372 3/20 0.33
NR1H4 Q96RI1 2/20 0.32
MLYCD O95822 2/20 0.31
IP6K1 Q92551 1/20 0.30
IP6K3 Q96PC2 1/20 0.30
IP6K2 Q9UHH9 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
CSNK2A3 Q8NEV1 1/20 0.30

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
SCHEMBL1033782 1.00 PPARG (0.46) PPARGPPARDPPARAESR1NR1H4
SCHEMBL12648231 0.92 PPARD (0.47) PPARGPPARDPPARAESR1
SCHEMBL1034986 0.92 PPARD (0.47) PPARGPPARDPPARAESR1
SCHEMBL12732584 0.90 PPARG (0.37) PPARGPPARDPPARAESR1IP6K1
SCHEMBL1032155 0.88 PPARG (0.41) PPARGPPARDPPARAESR1IP6K1
SCHEMBL1672300 0.85 PPARA (0.47) PPARGPPARDPPARA
SCHEMBL1672550 0.83 PPARG (0.48) PPARGPPARDPPARA
SCHEMBL1034117 0.83 PPARG (0.47) PPARGPPARDPPARAESR1
SCHEMBL1033114 0.82 PPARG (0.47) PPARGPPARDPPARAESR1
SCHEMBL1032515 0.81 PPARG (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011020001-A9 USE OF PPAR DELTA LIGANDS FOR THE TREATMENT OR PREVENTION OF INFLAMMATION OR ENERGY METABOLISM/PRODUCTION RELATED DISEASES CERENIS THERAPEUTICS S.A. (FR) 2011-05-26 WO disclosed
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
WO-2011020001-A2 USE OF PPAR DELTA LIGANDS FOR THE TREATMENT OR PREVENTION OF INFLAMMATION OR ENERGY METABOLISM/PRODUCTION RELATED DISEASES CERENIS THERAPEUTICS S.A. (FR) 2011-02-17 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-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.