SCHEMBL1826313

SCHEMBL1826313

COC(C)(CNC(=O)OC(C)(C)C)c1cccc(OS(C)(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
NQO2 P16083 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 5/20 0.37
CA9 Q16790 5/20 0.37
ACACB O00763 1/20 0.36
IDH1 O75874 1/20 0.36
BRD9 Q9H8M2 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4A O75164 1/20 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
SCHEMBL1826489 0.90 CA1 (0.38) CA1CA2NQO2GFERHSD17B10
SCHEMBL1823064 0.87 CA1 (0.40) CA1CA2CA12CA9ACACB
SCHEMBL1822759 0.86 CA1 (0.40) CA1CA2NQO2GFERHSD17B10
SCHEMBL1827869 0.86 CA1 (0.42) CA1CA2CA12CA9IDH1
SCHEMBL1825185 0.85 SYK (0.42) CA1CA2NQO2CA12BRD9
SCHEMBL1825189 0.85 GPR17 (0.41) CA1CA2CA12CA9ACACB
SCHEMBL1827247 0.78 CA1 (0.40) CA1CA2CA12CA9ACACB
SCHEMBL1823356 0.76 GPR17 (0.40) CA1CA2CA12CA9ACACB
SCHEMBL1822797 0.75 CA1 (0.41) CA1CA2CA12CA9ACACB
SCHEMBL1823079 0.75 P2RX7 (0.40) CA1CA2CA12ACACB

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 CA1 1603/4885CA2 730/4885NQO2 96/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CA1 1728/4885CA2 349/4885NQO2 2019/4885

“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.