SCHEMBL3784653

SCHEMBL3784653

CC(C)(C)OC(=O)Nc1ccc(B(O)O)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
RXFP1 Q9HBX9 1/20 0.43
CYP17A1 P05093 3/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
PSMB8 P28062 1/20 0.41
NAMPT P43490 1/20 0.41
MAP4K4 O95819 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PRKDC P78527 1/20 0.40
NR1I3 Q14994 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL3781384 0.88 CA12 (0.47) CA12CA1CA9RXFP1CYP17A1
SCHEMBL4314672 0.88 CA12 (0.49) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL31736749 0.85 CA12 (0.53) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL3785376 0.84 SMN1; SMN2 (0.50) ALDH1A1GAA
SCHEMBL25340465 0.84 CA12 (0.46) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL29535531 0.84 CA12 (0.46) CA12CA1CA9RXFP1CYP17A1
SCHEMBL15689378 0.84 CA12 (0.46) CA12CA1CA9RXFP1CYP17A1
SCHEMBL29921991 0.82 CA12 (0.53) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL29071529 0.82 CA12 (0.53) CA12CA1CA9CYP17A1ALDH1A1
SCHEMBL20865561 0.81 ALDH1A1 (0.56) CA12CA1CA9RXFP1CYP17A1

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 3273/4885CA9 816/4885

“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.