SCHEMBL6092777

SCHEMBL6092777

CC(c1ccc(CCOc2ccc(OS(C)(=O)=O)cc2)cc1)[C@@H](C(=O)O)[S+]([O-])CCc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 3/20 0.41
FFAR1 O14842 3/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 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
SCHEMBL6092983 1.00 PPARA (0.50) PPARAPPARGPPARDFFAR1CA12
SCHEMBL5690235 0.83 PPARA (0.58) PPARAPPARGPPARDFFAR1CA12
SCHEMBL5690000 0.83 PPARA (0.58) PPARAPPARGPPARDFFAR1CA12
SCHEMBL5689756 0.83 PPARA (0.58) PPARAPPARGPPARDFFAR1CA12
SCHEMBL6094832 0.81 PPARA (0.53) PPARAPPARGPPARDFFAR1
SCHEMBL6092845 0.81 PPARA (0.53) PPARAPPARGPPARDFFAR1
SCHEMBL6092773 0.78 PPARA (0.51) PPARAPPARGPPARDFFAR1
SCHEMBL6092981 0.78 PPARA (0.51) PPARAPPARGPPARDFFAR1
SCHEMBL6092990 0.75 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL6092781 0.75 PPARA (0.47) PPARAPPARGPPARD

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.