SCHEMBL16119294

SCHEMBL16119294

CC(C)(C)OC(=O)N[C@@H](CC1CCCC1)C(=O)[C@H]1CO1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.61
CTSS P25774 5/20 0.61
AAK1 Q2M2I8 2/20 0.46
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CACNA1B Q00975 4/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
KMT2A Q03164 1/20 0.38
REN P00797 1/20 0.37
EPHX1 P07099 1/20 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
SCHEMBL3814592 0.82 CTSK (0.68) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL3814600 0.82 CTSK (0.68) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL13305464 0.82 CTSK (0.54) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL3819388 0.82 CTSK (0.68) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL482062 0.81 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL9742302 0.81 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL16945 0.81 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL21427213 0.81 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL21427220 0.81 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL9742291 0.81 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647744-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2020-05-12 US disclosed
US-RE47302-E1 Peptide epoxyketone immunoproteasome inhibitors ONYX THERAPEUTICS INC. (US) 2019-03-19 US disclosed
EP-2970224-B1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS INC (US) 2017-09-06 EP disclosed
US-9657057-B2 Dipeptide and tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2017-05-23 US disclosed
US-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-12-22 US disclosed
US-9434761-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-09-06 US disclosed
US-20160031934-A1 DIPEPTIDE AND TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-02-04 US disclosed
WO-2014152127-A1 DIPEPTIDE AND TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. (US) 2014-09-25 WO disclosed
WO-2014152134-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. (US) 2014-09-25 WO 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 (3 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-20160031934-A1 DIPEPTIDE AND TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, PEPD, DNPEP CTSK 124/4885CTSS 473/4885AAK1 1544/4885
US-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP CTSK 48/4885CTSS 137/4885AAK1 1539/4885
US-10647744-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP CTSK 48/4885CTSS 137/4885AAK1 1539/4885

“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.