SCHEMBL3784768

SCHEMBL3784768

CCOC(=O)c1cc(B(O)ON)cc(C(=O)OCC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA7 P43166 3/20 0.51
CA9 Q16790 3/20 0.51
CA14 Q9ULX7 3/20 0.51
CYP1A2 P05177 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
ESR1 P03372 2/20 0.43
ESR2 Q92731 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL29994231 0.82 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL3787027 0.81 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL1664013 0.80 CA12 (0.75) CA12CA1CA2CA7CA9
SCHEMBL3783533 0.76 TSHR (0.50) CA12CA1CA2CA7CA9
SCHEMBL6648304 0.75 NPC1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL2810136 0.74 NPC1 (0.68) CA12CA1CA2CA7CA9
SCHEMBL3508602 0.74 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL3788252 0.74 CA1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL3789908 0.74 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL265366 0.74 CA12 (0.67) CA12CA1CA2CA7CA9

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.