SCHEMBL5992811

SCHEMBL5992811

CCOC(=O)C(Cc1cccc(OCCCc2ccc(OS(C)(=O)=O)cc2)c1)OCC

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.59
PPARA Q07869 11/20 0.59
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
PPARD Q03181 2/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP2D6 P10635 2/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5991979 0.95 PPARG (0.66) PPARGPPARAMAPK1L3MBTL1PPARD
SCHEMBL5992662 0.93 PPARA (0.60) PPARGPPARAMAPK1L3MBTL1PPARD
SCHEMBL5994355 0.91 PPARA (0.72) PPARGPPARAPPARD
SCHEMBL5992773 0.88 PPARA (0.67) PPARGPPARAMAPK1L3MBTL1PPARD
SCHEMBL5993807 0.86 PPARA (0.80) PPARGPPARAPPARD
SCHEMBL6817538 0.85 PPARG (0.52) PPARGPPARAMAPK1L3MBTL1PPARD
SCHEMBL5994086 0.84 PPARA (0.81) PPARGPPARAPPARD
SCHEMBL5999342 0.84 PPARA (0.81) PPARGPPARAPPARD
SCHEMBL5365635 0.84 PPARA (0.81) PPARGPPARAPPARD
SCHEMBL5991848 0.84 PPARA (0.74) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060173204-A1 New 3-aryl propionic acid derivatives and analogs ANDERSSON KJELL 2006-08-03 US disclosed
US-20040229949-A1 New 3-aryl propionic acid derivatives and analogs ANDERSSON KJELL (SE) 2004-11-18 US disclosed
EP-1237857-B1 NEW PHENALKYLOXY-PHENYL DERIVATIVES ASTRAZENECA AB (SE) 2004-06-30 EP disclosed
US-6630509-B2 Pharmaceutical medication associated with insulin resistance; patient with prophylaxis conditions having reduced sensitivity to insulin ASTRAZENECA AB (SE) 2003-10-07 US disclosed
US-6630600-B1 Intermediate for their manufacture, pharmaceutical preparations containing them and the use of the compounds in clinical conditions associated with insulin resistance. ASTRAZENECA AB (SE) 2003-10-07 US disclosed
EP-1084102-B1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
US-20030018207-A1 Phenalkyloxy-phenyl derivatives ASTRAZENECA AB (SE) 2003-01-23 US disclosed
EP-1237857-A1 NEW PHENALKYLOXY-PHENYL DERIVATIVES AstraZeneca AB (SE) 2002-09-11 EP disclosed
WO-2001040170-A1 NEW PHENALKYLOXY-PHENYL DERIVATIVES ASTRAZENECA AB (SE) 2001-06-07 WO disclosed
EP-1084102-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS AstraZeneca AB (SE) 2001-03-21 EP disclosed
WO-1999062871-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 1999-12-09 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 (3 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-20040229949-A1 New 3-aryl propionic acid derivatives and analogs GPR119, INSR, IRS1 PPARG 22/4885PPARA 11/4885MAPK1 1406/4885
US-20060173204-A1 New 3-aryl propionic acid derivatives and analogs GPR119, INSR, IRS1 PPARG 22/4885PPARA 11/4885MAPK1 1406/4885
US-20030018207-A1 Phenalkyloxy-phenyl derivatives GPR119, INSR, IAPP PPARG 47/4885PPARA 74/4885MAPK1 1869/4885

“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.