SCHEMBL1827399

SCHEMBL1827399

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SLC7A5 Q01650 1/20 0.38
PPARG P37231 5/20 0.37
CNR1 P21554 4/20 0.37
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
PPARA Q07869 6/20 0.36
STS P08842 1/20 0.36
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
SCHEMBL1823214 0.92 CA2 (0.43) ABCB1CA2CA9SLC7A5PPARG
SCHEMBL1825069 0.90 ABCB1 (0.44) ABCB1CA2CA9SLC7A5CNR1
SCHEMBL1824288 0.88 PLA2G1B (0.43) ABCB1CA2PPARGPLA2G1BATG4B
SCHEMBL1822328 0.88 ABCB1 (0.40) ABCB1CA2CA9SLC7A5PPARG
SCHEMBL1826650 0.86 P2RX7 (0.48) ABCB1CA2CA9PPARG
SCHEMBL1827457 0.86 PPARG (0.44) PPARGPLA2G1BATG4BPPARASTS
SCHEMBL1823785 0.86 TSHR (0.42) CA2PPARGCNR1PLA2G1BATG4B
SCHEMBL1826292 0.86 PPARG (0.47) ABCB1CA2CA9PPARGCNR1
SCHEMBL1823008 0.82 PPARG (0.40) ABCB1CA2CA9PPARGPPARA
SCHEMBL1824338 0.82 CA2 (0.39) ABCB1CA2CA9PPARGPPARA

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 ABCB1 1436/4885CA2 730/4885CA9 776/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ABCB1 209/4885CA2 349/4885CA9 308/4885

“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.