SCHEMBL22927604

SCHEMBL22927604

COC(=O)CC[C@H](C(=O)OC)N1CCN([C@H](CCC(=O)OC)C(=O)OC)Cc2cccc(n2)CN([C@H](CCC(=O)OC)C(=O)OC)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL21706214 1.00 NOTUM (0.38) NOTUMALOX15HSD17B10POLBHDAC8
SCHEMBL21211796 0.95 NOTUM (0.39) NOTUMALOX15HSD17B10MEN1KMT2A
SCHEMBL31267467 0.91 GLA (0.37) NOTUMHSD17B10MEN1KMT2A
SCHEMBL31267490 0.91 GLA (0.37) NOTUMHSD17B10MEN1KMT2A
SCHEMBL31208371 0.91 GLA (0.37) NOTUMHSD17B10MEN1KMT2A
SCHEMBL31267479 0.91 GLA (0.37) NOTUMHSD17B10MEN1KMT2A
SCHEMBL21211613 0.90 HTR7 (0.36) POLB
SCHEMBL29308553 0.88 UBE2M (0.34) NOTUMSLC6A2SLC6A4SLC6A3
SCHEMBL23085135 0.87 CXCR4 (0.37) NOTUM
SCHEMBL29308576 0.86 SLC6A4 (0.34) NOTUMSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036289-B2 Gadolinium bearing PCTA-based contrast agents BRACCO IMAGING S.P.A. (IT) 2024-07-16 US disclosed
EP-3770160-A1 GADOLINIUM BEARING PCTA-BASED CONTRAST AGENTS Bracco Imaging SPA (IT) 2021-01-27 EP 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-12036289-B2 Gadolinium bearing PCTA-based contrast agents GLRX3, GLRA1, GRHPR NOTUM 4170/4885ALOX15 4631/4885HSD17B10 2337/4885

“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.