SCHEMBL6092981

SCHEMBL6092981

COC(=O)[C@@H](Cc1ccc(CCOc2ccc(OS(C)(=O)=O)cc2)cc1)[S+]([O-])CCc1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.51
PPARG P37231 9/20 0.51
PPARD Q03181 4/20 0.41
FFAR1 O14842 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IL1RN P18510 1/20 0.36
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36

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
SCHEMBL6092773 1.00 PPARA (0.51) PPARAPPARGPPARDFFAR1ESR1
SCHEMBL5689756 0.90 PPARA (0.58) PPARAPPARGPPARDFFAR1
SCHEMBL5690000 0.90 PPARA (0.58) PPARAPPARGPPARDFFAR1
SCHEMBL5690235 0.90 PPARA (0.58) PPARAPPARGPPARDFFAR1
SCHEMBL6092840 0.82 PPARA (0.61) PPARAPPARGPPARDFFAR1ESR1
SCHEMBL3104768 0.82 PPARA (0.61) PPARAPPARGPPARDFFAR1ESR1
SCHEMBL3115791 0.82 PPARA (0.61) PPARAPPARGPPARDFFAR1ESR1
SCHEMBL6091604 0.79 PPARA (0.53) PPARAPPARGPPARDESR1ESR2
SCHEMBL5992953 0.79 PPARG (0.63) PPARAPPARGPPARDFFAR1
SCHEMBL6092983 0.78 PPARA (0.50) PPARAPPARGPPARDFFAR1

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-20060199857-A1 Therapeutic agents ASTRAZENECA UK LIMITED (GB) 2006-09-07 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-20060199857-A1 Therapeutic agents PNLIP, LIPC, GPR119 PPARA 27/4885PPARG 38/4885PPARD 73/4885

“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.