SCHEMBL1673149

SCHEMBL1673149

O=C(O)CCC(C(=O)O)N1CCN(CC(=O)O)CCN(CC(=O)O)Cc2cccc(n2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.39
ALB P02768 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FOLH1 Q04609 5/20 0.37
CACNA2D1 P54289 2/20 0.34
CACNA1B Q00975 2/20 0.34
CACNB1 Q02641 2/20 0.34
CACNA1C Q13936 2/20 0.34

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
SCHEMBL4369094 0.95 ALB (0.39) SLC6A9ALBKDM4EALDH1A1TP53
SCHEMBL18709168 0.92 SLC6A9 (0.37) SLC6A9ALBFOLH1CACNA2D1CACNA1B
SCHEMBL25469971 0.89 HSD17B10 (0.43) ALBKDM4EALDH1A1TP53GLA
SCHEMBL10019122 0.89 HSD17B10 (0.43) ALBKDM4EALDH1A1TP53GLA
SCHEMBL22622540 0.89 HSD17B10 (0.43) ALBKDM4EALDH1A1TP53GLA
SCHEMBL4372295 0.88 ALB (0.38) SLC6A9ALBKDM4EALDH1A1TP53
SCHEMBL14546793 0.88 BACE1 (0.39) KDM4EALDH1A1
SCHEMBL21211559 0.86 MAPK1 (0.38) KDM4EALDH1A1TP53GLAPOLB
SCHEMBL12342807 0.85 ALB (0.39) SLC6A9ALBKDM4EALDH1A1FOLH1
SCHEMBL24078675 0.84 KDM4E (0.40) ALBKDM4EALDH1A1TP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940841-B9 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET SA (FR) 2017-04-19 EP disclosed
EP-1940841-B1 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET SA (FR) 2016-12-07 EP disclosed
US-8926945-B2 Compounds comprising a biological target recognizing part, coupled to a signal part capable of complexing gallium GUERBET (FR) 2015-01-06 US disclosed
US-8926945-B2 Compounds comprising a biological target recognizing part, coupled to a signal part capable of complexing gallium GUERBET (FR) 2015-01-06 US disclosed
US-8926945-B2 Compounds comprising a biological target recognizing part, coupled to a signal part capable of complexing gallium GUERBET (FR) 2015-01-06 US disclosed
US-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium GUEREBET (FR) 2011-04-21 US disclosed
US-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium GUEREBET (FR) 2011-04-21 US disclosed
US-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium GUEREBET (FR) 2011-04-21 US disclosed
WO-2007042504-A2 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET (FR) 2007-04-19 WO 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-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium KLK3, IGF1R, GIPR SLC6A9 4319/4885ALB 2410/4885KDM4E 4673/4885

“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.