SCHEMBL6289068

SCHEMBL6289068

CC(C)(C)OC(=O)NCCC(=O)N(CC(=O)NCc1ccc(C(=O)O)c(O)c1)CC(=O)NCc1ccc(C(=O)OCC#N)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
HDAC1 Q13547 1/20 0.34
CTSS P25774 6/20 0.34
CTSB P07858 3/20 0.34
CTSL P07711 2/20 0.34
CYP3A4 P08684 1/20 0.34
EGFR P00533 2/20 0.34
CTSK P43235 4/20 0.33
SRC P12931 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NR1H4 Q96RI1 2/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EPHX2 P34913 1/20 0.32

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 0.85 EGFR (0.39) HDAC1EGFRSRCL3MBTL1MEN1
SCHEMBL6292886 0.81 EGFR (0.38) HDAC1EGFRSRCL3MBTL1MEN1
SCHEMBL6289111 0.74 EGFR (0.41) CA1CA2CYP3A4EGFRSRC
SCHEMBL6293459 0.70 CA1 (0.40) CA1CA2HDAC1CYP3A4
SCHEMBL6290026 0.69 CYP3A4 (0.47) CA1CA2HDAC1CYP3A4TDP1
SCHEMBL1205923 0.67 TSHR (0.46) HDAC1CYP3A4L3MBTL1NR1H4MEN1
SCHEMBL6290018 0.67 CA1 (0.42) CA1CA2CYP3A4EGFRSRC
SCHEMBL8417822 0.66 HDAC1 (0.53) CA1CA2HDAC1CTSBEGFR
SCHEMBL5200513 0.66 CA1 (0.47) CA1CA2PDK2PDK4MEN1
SCHEMBL30910306 0.65 NR1H4 (0.48) CA1CA2HDAC1L3MBTL1NR1H4

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 CA1 470/4885CA2 75/4885HDAC1 1220/4885

“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.