SCHEMBL4228485

SCHEMBL4228485

CCCCCCC(=O)N1CC(=O)C2C1CCN2C(=O)[C@H](CC(C)C)NC(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.71
CTSS P25774 1/20 0.42
HDAC11 Q96DB2 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CCR1 P32246 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
CA12 O43570 2/20 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
SCHEMBL4228478 1.00 CTSK (0.71) CTSKCTSSHDAC11HDAC3HDAC4
SCHEMBL5941637 1.00 CTSK (0.71) CTSKCTSSHDAC11HDAC3HDAC4
SCHEMBL4228482 1.00 CTSK (0.71) CTSKCTSSHDAC11HDAC3HDAC4
SCHEMBL4221614 0.99 CTSK (0.72) CTSKCTSSHDAC11HDAC3HDAC4
SCHEMBL5941501 0.99 CTSK (0.72) CTSKCTSSHDAC11HDAC3HDAC4
SCHEMBL4221617 0.99 CTSK (0.72) CTSKCTSSHDAC11HDAC3HDAC4
SCHEMBL4221621 0.99 CTSK (0.72) CTSKCTSSHDAC11HDAC3HDAC4
SCHEMBL5941454 0.97 CTSK (0.73) CTSKCTSSHDAC11HDAC3HDAC4
SCHEMBL4217217 0.97 CTSK (0.73) CTSKCTSSHDAC11HDAC3HDAC4
SCHEMBL4038696 0.97 CTSK (0.73) CTSKCTSSHDAC11HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885HDAC11 189/4885

“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.