SCHEMBL6232568

SCHEMBL6232568

COC(=O)[C@H](CCCCN)N(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPOR P19235 4/20 0.40
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
CPB2 Q96IY4 1/20 0.32
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
CTSK P43235 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
SCHEMBL6232124 0.96 EPOR (0.40) EPORITGB3ITGA2BCPB2
SCHEMBL5543850 0.93 CPB2 (0.33) EPORCPB2
SCHEMBL2567911 0.93 CPB2 (0.33) EPORCPB2
SCHEMBL7601678 0.89 CPB2 (0.33) EPORCPB2
SCHEMBL7881945 0.88 CPB2 (0.36) EPORITGB3ITGA2BCPB2MEN1
SCHEMBL896853 0.80 CPB2 (0.37) EPORCPB2CTSK
SCHEMBL4537445 0.80 CPB2 (0.37) EPORCPB2CTSK
SCHEMBL6153982 0.78 CPB2 (0.31) CPB2
SCHEMBL6229809 0.77 MAPT (0.52) EPOR
SCHEMBL8112491 0.76 LMNA (0.38) CTSK

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
EP-1259532-B1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF BRACCO IMAGING SPA (IT) 2005-05-04 EP disclosed
US-6803030-B2 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING BRACCO IMAGING S.P.A. (IT) 2004-10-12 US disclosed
US-20030113265-A1 Bile acids conjugates with metal ion chelates and the use thereof BRACCO IMAGING S.P.A. (IT) 2003-06-19 US disclosed
EP-1259532-A1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF Bracco Imaging S.p.A. (IT) 2002-11-27 EP disclosed
WO-2001064708-A1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF BRACCO IMAGING S.P.A. (IT) 2001-09-07 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-20030113265-A1 Bile acids conjugates with metal ion chelates and the use thereof SLC10A2, SLC10A1, NR1H4 EPOR 2103/4885ITGB3 3038/4885ITGA2B 3334/4885

“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.