SCHEMBL6292886

SCHEMBL6292886

N#CCOC(=O)c1ccc(CNC(=O)CN(CC(=O)NCc2ccc(C(=O)OCC#N)c(O)c2)C(=O)CCN)cc1O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
SRC P12931 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
ERCC1 P07992 5/20 0.37
ERCC4 Q92889 5/20 0.37
PRSS1 P07477 1/20 0.36
TPSAB1 Q15661 1/20 0.36
TRPV1 Q8NER1 4/20 0.35
SELL P14151 2/20 0.35
SELP P16109 2/20 0.35
SELE P16581 2/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33

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
SCHEMBL6292860 0.96 EGFR (0.39) EGFRSRCL3MBTL1TDP1ERCC1
SCHEMBL6289068 0.81 CA1 (0.38) EGFRSRCL3MBTL1TDP1MEN1
SCHEMBL6289986 0.75 SERPINE1 (0.44) TDP1
Hydrochloric Acid SCHEMBL6292878 0.74 SERPINE1 (0.43) TDP1
SCHEMBL7647486 0.73 ERCC1 (0.38) EGFRSRCL3MBTL1TDP1ERCC1
SCHEMBL7647483 0.73 ERCC1 (0.38) EGFRSRCL3MBTL1TDP1ERCC1
SCHEMBL7647489 0.73 ERCC1 (0.37) EGFRSRCL3MBTL1TDP1ERCC1
SCHEMBL7605137 0.72 TRPV1 (0.44) TRPV1MEN1ALDH1A1KMT2A
SCHEMBL7606944 0.71 EGFR (0.42) EGFRSRCL3MBTL1TDP1ERCC1
SCHEMBL6292888 0.71 TRPV1 (0.39) EGFRSRCTRPV1MEN1ALDH1A1

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 EGFR 699/4885SRC 3795/4885L3MBTL1 1906/4885

“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.