SCHEMBL2082769

SCHEMBL2082769

CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CCC(O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX1 P07099 1/20 0.35
CTSK P43235 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD11B1 P28845 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HPGD P15428 1/20 0.34
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
RECQL P46063 1/20 0.33
NAMPT P43490 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
SCHEMBL2082768 1.00 ALDH1A1 (0.36) ALDH1A1MEN1TSHRKMT2AEPHX1
SCHEMBL28403064 0.88 MEN1 (0.36) ALDH1A1MEN1TSHRKMT2AEPHX1
SCHEMBL17574400 0.88 MEN1 (0.36) ALDH1A1MEN1TSHRKMT2AEPHX1
SCHEMBL15533902 0.86 LMNA (0.44) ALDH1A1MEN1TSHRKMT2AEPHX1
SCHEMBL16439228 0.86 CTSK (0.47) EPHX1CTSKCA1CA2CYP2C9
SCHEMBL15533898 0.86 LMNA (0.44) ALDH1A1MEN1TSHRKMT2AEPHX1
SCHEMBL7040763 0.85 CTSK (0.38) MEN1KMT2AEPHX1CTSKCA1
SCHEMBL7040760 0.85 CTSK (0.38) MEN1KMT2AEPHX1CTSKCA1
SCHEMBL23557801 0.85 ALDH1A1 (0.34) ALDH1A1MEN1TSHRKMT2AEPHX1
SCHEMBL15345035 0.85 MEN1 (0.34) ALDH1A1MEN1TSHRKMT2AEPHX1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 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 (2 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-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 ALDH1A1 357/4885MEN1 4472/4885TSHR 941/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 ALDH1A1 424/4885MEN1 4609/4885TSHR 491/4885

“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.