SCHEMBL6289030

SCHEMBL6289030

COC(=O)c1ccc(CN(Cc2ccc(C(=O)OC)c(O)c2)C(=O)OC(C)(C)C)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
PDK2 Q15119 1/20 0.48
PDK4 Q16654 1/20 0.48
GAA P10253 2/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MYC P01106 1/20 0.41
TSHR P16473 5/20 0.41
LMNA P02545 1/20 0.40
CSNK2A1 P68400 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL6289072 0.79 HDAC3 (0.50) HDAC3HDAC1HDAC2NCOR2TSHR
SCHEMBL30965056 0.78 GLS (0.40) GAAHDAC3HDAC1HDAC2NCOR2
SCHEMBL3881728 0.78 GLS (0.40) GAAHDAC3HDAC1HDAC2NCOR2
SCHEMBL25489056 0.77 HDAC1 (0.39) HDAC3HDAC1HDAC2NCOR2SMN1; SMN2
SCHEMBL5200513 0.76 CA1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL6289029 0.76 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL30964911 0.76 HDAC3 (0.38) HDAC3HDAC1HDAC2NCOR2SMN1; SMN2
SCHEMBL8003356 0.75 CA2 (0.48) CA12CA1CA2CA7CA9
SCHEMBL5058622 0.75 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL17201140 0.75 CA12 (0.65) 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.