SCHEMBL3789286

SCHEMBL3789286

CC(C)(C)OC(=O)c1cc(B(O)ON)cc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SLC7A5 Q01650 1/20 0.37
STAT3 P40763 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
ALOX15 P16050 1/20 0.33
ELANE P08246 1/20 0.30

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
SCHEMBL393305 0.84 SLC7A5 (0.48) CA12CA1CA2CA9CA14
SCHEMBL5919272 0.83 CA12 (0.49) CA12CA1CA2CA9CA14
SCHEMBL3787027 0.81 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL7058435 0.80 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL3782137 0.79 PPARG (0.30)
SCHEMBL3784768 0.77 CA12 (0.51) CA12CA1CA2CA9CA14
SCHEMBL3784943 0.76 CA12 (0.33) CA12CA1CA2CA9CA14
SCHEMBL8122251 0.74 CA12 (0.45) CA12CA1CA2CA9CA14
SCHEMBL3781388 0.74 CA12 (0.40) CA12CA1CA2CA9CA14
SCHEMBL3784664 0.74 CA12 (0.40) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CA12 1438/4885CA1 3273/4885CA2 1992/4885

“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.