SCHEMBL6339385

SCHEMBL6339385

C=CC(O)CCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.38
HDAC6 Q9UBN7 3/20 0.35
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
CTSD P07339 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
PDK2 Q15119 1/20 0.31
CA14 Q9ULX7 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL23572548 0.84 CTSK (0.38) CTSKHDAC6HDAC1HDAC2PDK2
SCHEMBL25698893 0.83 HDAC6 (0.36) CTSKHDAC6HDAC1HDAC2CTSD
SCHEMBL20847527 0.81 CTSK (0.36) CTSKHDAC6PDK2CA14GPR88
SCHEMBL4818893 0.81 CTSK (0.36) CTSKHDAC6HDAC1HDAC2PDK2
SCHEMBL3711368 0.80 CTSK (0.38) CTSKHDAC6HDAC1HDAC2PDK2
SCHEMBL25085825 0.78 CTSK (0.36) CTSKHDAC6HDAC1HDAC2PDK2
SCHEMBL16941095 0.78 CTSK (0.39) CTSKHDAC6HDAC1HDAC2PDK2
SCHEMBL15866143 0.77 CTSK (0.40) CTSKHDAC6HDAC1HDAC2PDK2
SCHEMBL16517171 0.77 CTSK (0.37) CTSKHDAC6HDAC1HDAC2PDK2
SCHEMBL754325 0.77 CTSK (0.37) CTSKHDAC6HDAC1HDAC2PDK2

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-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2023-06-27 US disclosed
US-6900243-B2 Phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-05-31 US disclosed
US-20030065174-A1 Novel phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-03 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-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof ATM, CHEK2, CHEK1 CTSK 1940/4885HDAC6 908/4885HDAC1 799/4885
US-20030065174-A1 Novel phenylheteroalkylamine derivatives OPRK1, NOS2, OPRM1 CTSK 1720/4885HDAC6 3585/4885HDAC1 2496/4885

“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.