SCHEMBL5690000

SCHEMBL5690000

CS(=O)(=O)Oc1ccc(OCCc2ccc(CC(C(=O)O)[S+]([O-])CCc3ccc(O)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.58
PPARG P37231 8/20 0.58
FFAR1 O14842 2/20 0.41
PPARD Q03181 3/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL5689756 1.00 PPARA (0.58) PPARAPPARGFFAR1PPARDCA12
SCHEMBL5690235 1.00 PPARA (0.58) PPARAPPARGFFAR1PPARDCA12
SCHEMBL6092773 0.90 PPARA (0.51) PPARAPPARGFFAR1PPARD
SCHEMBL6092981 0.90 PPARA (0.51) PPARAPPARGFFAR1PPARD
SCHEMBL6092983 0.83 PPARA (0.50) PPARAPPARGFFAR1PPARDCA12
SCHEMBL6092777 0.83 PPARA (0.50) PPARAPPARGFFAR1PPARDCA12
SCHEMBL3100628 0.82 PPARA (0.71) PPARAPPARGFFAR1PPARD
SCHEMBL3946198 0.82 PPARA (0.71) PPARAPPARGFFAR1PPARD
SCHEMBL3100619 0.82 PPARA (0.71) PPARAPPARGFFAR1PPARD
SCHEMBL5474463 0.81 PPARA (0.70) PPARAPPARGFFAR1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060199857-A1 Therapeutic agents ASTRAZENECA UK LIMITED (GB) 2006-09-07 US claimed
US-20060199857-A1 Therapeutic agents ASTRAZENECA UK LIMITED (GB) 2006-09-07 US disclosed
EP-1638927-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2006-03-29 EP disclosed
WO-2004113282-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-12-29 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-20060199857-A1 Therapeutic agents PNLIP, LIPC, GPR119 PPARA 27/4885PPARG 38/4885FFAR1 60/4885

“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.