SCHEMBL23153403

SCHEMBL23153403

O=C(O)CN(CCN(CC(=O)O)[C@H]1CCCC[C@@H]1N(CCN(CC(=O)O)CC(=O)O)CC(=O)Nc1ccc2c(I)cc(=O)[nH]c2c1)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 9/20 0.38
▸ CA1 P00915 9/20 0.36
▸ CA2 P00918 9/20 0.36
▸ CA12 O43570 4/20 0.36
▸ CA9 Q16790 4/20 0.36
▸ AR P10275 2/20 0.36
▸ CA4 P22748 4/20 0.36

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
SCHEMBL23153405 0.86 POLB (0.42) TERT
SCHEMBL23130696 0.81 TERT (0.35) TERTAR
SCHEMBL23130702 0.79 AR (0.47) AR
SCHEMBL23130695 0.78 TERT (0.37) TERTCA1CA12CA9AR
SCHEMBL23130701 0.75 AR (0.49) AR
SCHEMBL14367687 0.75 TERT (0.48) TERTCA1CA2CA12CA9
SCHEMBL23153396 0.74 KAT2B (0.41) CA1CA2CA12CA9CA4
SCHEMBL23153398 0.72 TERT (0.37) TERTCA1CA2CA12CA9
SCHEMBL13273544 0.72 CA1 (0.46) TERTCA1CA2CA12CA9
SCHEMBL23153397 0.72 CA1 (0.38) CA1CA2CA12CA9AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961197-B2 Metal chelators for imaging, therapeutics, and bioanalysis THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-03-30 — — 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 (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-10961197-B2 Metal chelators for imaging, therapeutics, and bioanalysis TBCA, SLC39A3, TBL3 TERT 1814/4885CA1 1375/4885CA2 942/4885

“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.

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