SCHEMBL2240651

SCHEMBL2240651

NCCCC(C(=O)O)N1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1.[Gd]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.39
ALB P02768 1/20 0.39
GSR P00390 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CPB2 Q96IY4 1/20 0.35
PLAU P00749 2/20 0.33
PLAUR Q03405 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
FOLH1 Q04609 1/20 0.32
CACNA2D1 P54289 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNB1 Q02641 1/20 0.31
CACNA1C Q13936 1/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
TACR1 P25103 2/20 0.31

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
SCHEMBL410472 0.98 SLC6A9 (0.40) SLC6A9ALBGSRHSD17B10CPB2
SCHEMBL1673011 0.98 SLC6A9 (0.40) SLC6A9ALBGSRHSD17B10CPB2
SCHEMBL16800548 0.94 GSR (0.44) SLC6A9ALBGSRHSD17B10CPB2
SCHEMBL23504921 0.89 SLC6A9 (0.42) SLC6A9ALBGSRHSD17B10CACNA2D1
SCHEMBL24507466 0.84 SLC6A9 (0.41) SLC6A9ALBHSD17B10FOLH1CACNA2D1
SCHEMBL30973670 0.83 ALB (0.39) SLC6A9ALBGSRFOLH1
SCHEMBL19403269 0.83 S1PR1 (0.42) SLC6A9ALBHSD17B10
SCHEMBL19605846 0.83 S1PR1 (0.42) SLC6A9ALBHSD17B10
SCHEMBL14546791 0.82 SLC6A9 (0.36) SLC6A9ALBGSRHSD17B10PLAU
SCHEMBL820875 0.81 GSR (0.50) GSRCPB2PLAUPLAURRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9402924-B2 Diagnostic compounds for targeting a chemokine receptors GUERBET (FR) 2016-08-02 US disclosed
US-8367039-B2 Compounds for the diagnosis of diseases associated with VCAM expression GUERBET (FR) 2013-02-05 US disclosed
US-20110200533-A1 COMPOUNDS FOR THE DIAGNOSIS OF DISEASES ASSOCIATED WITH VCAM EXPRESSION GUERBET (FR) 2011-08-18 US disclosed
US-20100143250-A1 COMPOUNDS FOR THE DIAGNOSIS OF APOPTOSIS GUERBET (FR) 2010-06-10 US disclosed
US-20090202435-A1 Diagnostic compounds for targeting a chemokine receptors GUERBET (FR) 2009-08-13 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 (3 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-20110200533-A1 COMPOUNDS FOR THE DIAGNOSIS OF DISEASES ASSOCIATED WITH VCAM EXPRESSION VCAM1, SLC7A11, QPCTL SLC6A9 116/4885ALB 2581/4885GSR 3174/4885
US-20100143250-A1 COMPOUNDS FOR THE DIAGNOSIS OF APOPTOSIS TPX2, VIP, BAX SLC6A9 1516/4885ALB 3427/4885GSR 1874/4885
US-20090202435-A1 Diagnostic compounds for targeting a chemokine receptors CCL2, ACKR3, CCR5 SLC6A9 3834/4885ALB 4195/4885GSR 3383/4885

“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.