SCHEMBL1827744

SCHEMBL1827744

CC(C)(C)OC(=O)C(CN)C(Cc1ccccc1)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.39
PPARA Q07869 7/20 0.39
CNR1 P21554 4/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
LTA4H P09960 1/20 0.36
STS P08842 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC7A5 Q01650 1/20 0.35
P2RX7 Q99572 2/20 0.35
CNR2 P34972 3/20 0.35

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
SCHEMBL1825657 0.90 P2RX7 (0.43) CNR1MEN1KMT2AP2RX7CNR2
SCHEMBL1826349 0.88 MEN1 (0.48) PPARGPPARALTA4HSTSMEN1
SCHEMBL1825507 0.87 PPARG (0.47) PPARGPPARALTA4HSTSMEN1
SCHEMBL1823305 0.87 PPARG (0.45) PPARGPPARASTSMEN1KMT2A
SCHEMBL1826821 0.86 P2RX7 (0.50) PPARGP2RX7
SCHEMBL3578134 0.86 PPARG (0.40) PPARGPPARACNR1STSMEN1
SCHEMBL1822328 0.83 ABCB1 (0.40) PPARGPPARACNR1STSSLC7A5
SCHEMBL1828005 0.83 CA1 (0.39) PPARGPPARALTA4HP2RX7
SCHEMBL1826120 0.81 CA1 (0.39) PPARGPPARALTA4HP2RX7
SCHEMBL1827399 0.81 ABCB1 (0.41) PPARGPPARACNR1STSSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP disclosed
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
EP-2161254-A1 Intermediate for preparing a biaryl compound Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP disclosed
US-20070270603-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-7271280-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-18 US disclosed
EP-1481967-A1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed
US-20040158093-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-12 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 (2 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-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 PPARG 3864/4885PPARA 3865/4885CNR1 1167/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 PPARG 2131/4885PPARA 2339/4885CNR1 2630/4885

“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.