SCHEMBL20506830

SCHEMBL20506830

CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)c1ccccc1N(CC(=O)OC(C)(C)C)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 3/20 0.46
▸ CTSL P07711 2/20 0.44
▸ CTSB P07858 2/20 0.44
▸ CTSS P25774 2/20 0.44
▸ RIPK1 Q13546 2/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ CRHBP P24387 1/20 0.38

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
SCHEMBL782348 0.83 AKT1 (0.55) AKT1CTSLCTSBCTSSRIPK1
SCHEMBL3424561 0.81 TDP1 (0.50) MEN1KMT2AL3MBTL1
SCHEMBL782349 0.79 AKT1 (0.51) AKT1CTSLCTSBCTSSRIPK1
SCHEMBL7570965 0.78 AKT1 (0.50) AKT1CTSLCTSBCTSSRIPK1
SCHEMBL8018235 0.78 AKT1 (0.50) AKT1CTSLCTSBCTSSRIPK1
SCHEMBL23130693 0.78 AKT1 (0.50) AKT1CTSLCTSBCTSSRIPK1
SCHEMBL30915258 0.78 AKT1 (0.50) AKT1CTSLCTSBCTSSRIPK1
SCHEMBL20506779 0.77 TDP1 (0.54) CA12TRPM8CRHBPCRHR2
SCHEMBL7562431 0.77 AKT1 (0.49) AKT1CTSLCTSBCTSSRIPK1
SCHEMBL6086217 0.75 AKT1 (0.45) AKT1CTSLCTSBCTSSRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420910-B2 Methods for low temperature fluorine-18 radiolabeling of biomolecules KATHOLIEKE UNIVERSITET LEUVEN (BE) 2022-08-23 — — US disclosed
EP-3212610-B1 METHODS FOR LOW TEMPERATURE FLUORINE-18 RADIOLABELING OF BIOMOLECULES UNIV LEUVEN KATH (BE) 2020-10-28 — — EP disclosed
US-20180273441-A1 METHODS FOR LOW TEMPERATURE FLUORINE-18 RADIOLABELING OF BIOMOLECULES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2018-09-27 — — 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 (2 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-20180273441-A1 METHODS FOR LOW TEMPERATURE FLUORINE-18 RADIOLABELING OF BIOMOLECULES H1-3, H1-0, H1-2 AKT1 4264/4885CTSL 548/4885CTSB 2192/4885
US-11420910-B2 Methods for low temperature fluorine-18 radiolabeling of biomolecules H1-3, H1-0, H1-2 AKT1 4254/4885CTSL 548/4885CTSB 2223/4885

“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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