SCHEMBL6289072

SCHEMBL6289072

COC(=O)c1ccc(CN(Cc2ccc(C(=O)OC)c(OCc3ccccc3)c2)C(=O)OC(C)(C)C)cc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
FFAR4 Q5NUL3 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
APP P05067 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
RAF1 P04049 2/20 0.42
MAP2K1 Q02750 2/20 0.42
BACE1 P56817 4/20 0.41

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
SCHEMBL6289070 0.80 FFAR4 (0.45) FFAR4MEN1KMT2AMTNR1AMTNR1B
SCHEMBL24344772 0.79 FFAR4 (0.42) FFAR4LMNAHPGD
SCHEMBL6289030 0.79 CA12 (0.48) HDAC3HDAC1HDAC2NCOR2MEN1
SCHEMBL16992104 0.79 HDAC3 (0.50) HDAC3HDAC1HDAC2NCOR2MEN1
SCHEMBL2773150 0.79 FFAR4 (0.57) HDAC1FFAR4TSHRMTNR1AMTNR1B
SCHEMBL4699386 0.79 FFAR4 (0.57) HDAC1FFAR4MTNR1AMTNR1BLMNA
SCHEMBL14892610 0.78 FFAR4 (0.59) HDAC1FFAR4TSHRMTNR1AMTNR1B
SCHEMBL3748913 0.78 HDAC1 (0.65) HDAC3HDAC1HDAC2NCOR2TSHR
SCHEMBL25489056 0.77 HDAC1 (0.39) HDAC3HDAC1HDAC2NCOR2MTNR1A
SCHEMBL6273559 0.77 PTPN2 (0.44) HDAC3HDAC1HDAC2NCOR2MEN1

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 HDAC3 901/4885HDAC1 1220/4885HDAC2 676/4885

“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.