SCHEMBL23153397

SCHEMBL23153397

Cn1c(=O)cc(C(F)(F)F)c2ccc(NC(=O)CN(CCN(CC(=O)O)CC(=O)O)[C@H]3CCCC[C@@H]3N(CCN(CC(=O)O)CC(=O)O)CC(=O)O)cc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 10/20 0.38
▸ CA2 P00918 10/20 0.38
▸ CA4 P22748 5/20 0.38
▸ CA12 O43570 4/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ AR P10275 4/20 0.37
▸ PGR P06401 2/20 0.37
▸ NR3C1 P04150 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL23153396 0.89 KAT2B (0.41) CA1CA2CA4CA12CA9
SCHEMBL15161149 0.76 CA1 (0.43) CA1CA2CA4CA12CA9
SCHEMBL19962831 0.76 POLB (0.36) CA1CA2CA4CA12CA9
SCHEMBL23130702 0.76 AR (0.47) AR
SCHEMBL23130701 0.73 AR (0.49) AR
SCHEMBL23153403 0.72 TERT (0.38) CA1CA2CA4CA12CA9
SCHEMBL23153405 0.70 POLB (0.42) KDM4EALDH1A1L3MBTL1GAA
SCHEMBL23153395 0.70 L3MBTL1 (0.41) CA1CA2CA12CA9ALDH1A1
SCHEMBL23153398 0.70 TERT (0.37) CA1CA2CA12CA9AR
SCHEMBL15159298 0.69 CA1 (0.38) CA1CA2CA4CA12CA9

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 CA1 1375/4885CA2 942/4885CA4 650/4885

“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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