SCHEMBL2084516

SCHEMBL2084516

CC(=O)OC(C)(C)c1cccnc1C=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.37
NFE2L2 Q16236 6/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX12 P18054 1/20 0.32
ALDH1A1 P00352 1/20 0.32
P2RY1 P47900 1/20 0.32
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SSTR1 P30872 1/20 0.30
SSTR4 P31391 1/20 0.30

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
SCHEMBL2085731 0.81 NFE2L2 (0.40) PLCG1NFE2L2KDM4EALDH1A1TRIM24
SCHEMBL2083456 0.80 PLCG1 (0.39) PLCG1POLBTDP1KDM4ECYP3A4
SCHEMBL80776 0.77 TRIM24 (0.38) PLCG1NFE2L2TDP1KDM4EALDH1A1
SCHEMBL5656237 0.74 ALDH1A1 (0.38) POLBTDP1KDM4ECYP3A4ALDH1A1
SCHEMBL9837285 0.71 POLB (0.45) POLBTDP1KDM4ECYP3A4ALDH1A1
SCHEMBL2084716 0.70 KDM4E (0.37) NFE2L2KDM4ECYP3A4ALDH1A1TRIM24
SCHEMBL536167 0.70 CYP3A4 (0.36) TDP1KDM4ECYP3A4ALDH1A1MAPK1
SCHEMBL586118 0.70 NFE2L2 (0.48) NFE2L2TRIM24TRIM33LMNA
SCHEMBL21742157 0.69 L3MBTL1 (0.47) KDM4ECYP3A4ALDH1A1MAPK1LMNA
SCHEMBL30963125 0.69 KDM4E (0.36) NFE2L2TDP1KDM4ECYP3A4ALOX12

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 PLCG1 4241/4885NFE2L2 1677/4885POLB 3913/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 PLCG1 4208/4885NFE2L2 1764/4885POLB 4206/4885

“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.