SCHEMBL6292884

SCHEMBL6292884

COC(=O)c1c(O)cc(CBr)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.53
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA7 P43166 5/20 0.53
CA9 Q16790 5/20 0.53
CA14 Q9ULX7 5/20 0.53
CYP3A4 P08684 2/20 0.50
ACHE P22303 1/20 0.50
HPGD P15428 1/20 0.47
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
XDH P47989 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL28743341 0.81 CYP3A4 (0.50) CA12CA1CA2CA7CA9
SCHEMBL7584584 0.80 CA12 (0.44) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL6289459 0.79 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL21957016 0.79 CYP4F2 (0.40) CA12CA1CA2CA7CA9
SCHEMBL725269 0.77 CYP3A4 (0.77) CA12CA1CA2CA7CA9
SCHEMBL5058622 0.77 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL4652534 0.76 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL455338 0.76 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL1636307 0.75 CYP3A4 (0.62) CA12CA1CA2CA7CA9
SCHEMBL6292873 0.75 POLB (0.53) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6870065-B2 Bifunctional boronic compound complexing reagents and complexes CAMBREX BIO SCIENCE ROCKLAND, INC. (US) 2005-03-22 US disclosed
US-20030105280-A1 Bifunctional boronic compound complexing reagents and complexes AHLEM CLARENCE N (US) 2003-06-05 US disclosed
US-6414122-B1 BIOCHEMICAL CONJUGATION TO PROTEINS, PEPTIDES, HORMONES, POLYSACCHARIDES, NUCLEIC ACIDS, LIPOSOMES, RADIONUCLIDES, HAPTENS, AND TOXINS PROLINX, INC. 2002-07-02 US disclosed
US-6156884-A Bifunctional boronic compound complexing reagents and complexes PROLINX, INC. (US) 2000-12-05 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 (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-20030105280-A1 Bifunctional boronic compound complexing reagents and complexes CHN2, CFH, COG2 CA12 89/4885CA1 470/4885CA2 75/4885

“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.