SCHEMBL6289986

SCHEMBL6289986

N#CCOC(=O)c1ccc(CN)cc1O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KLKB1 P03952 5/20 0.39
PLG P00747 5/20 0.38
KLK1 P06870 5/20 0.38
KLK6 Q92876 5/20 0.38
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
Hydrochloric Acid SCHEMBL6292878 0.99 SERPINE1 (0.43) SERPINE1CA12CA1CA2CA7
SCHEMBL8431843 0.80 CA12 (0.66) SERPINE1CA12CA1CA2CA7
SCHEMBL7582391 0.80 NR1H2 (0.41) SERPINE1CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL6289084 0.79 CA12 (0.64) SERPINE1CA12CA1CA2CA7
SCHEMBL22767197 0.78 LOXL2 (0.58) CA12CA1CA2CA9CA14
SCHEMBL1165530 0.76 GAA (0.62) CA12CA1CA2CA7CA9
SCHEMBL6292886 0.75 EGFR (0.38) TDP1
Hydrochloric Acid SCHEMBL2894768 0.75 GAA (0.60) CA12CA1CA2CA7CA9
SCHEMBL7896621 0.73 CA12 (0.60) SERPINE1CA12CA1CA2CA7
SCHEMBL7647483 0.73 ERCC1 (0.38) GAATDP1

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 SERPINE1 4299/4885CA12 89/4885CA1 470/4885

“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.