SCHEMBL4529962

SCHEMBL4529962

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.52
CTSS P25774 5/20 0.48
CTSK P43235 4/20 0.48
CTSB P07858 3/20 0.48
CTSL P07711 2/20 0.48
PTPRB P23467 3/20 0.45
SCN9A Q15858 3/20 0.45
CCKAR P32238 2/20 0.45
CCKBR P32239 2/20 0.45
BCL2 P10415 1/20 0.44
AKT1 P31749 1/20 0.44
CYP3A4 P08684 1/20 0.43
ACE P12821 1/20 0.43
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL18996992 0.81 HDAC8 (0.54) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL4525858 0.80 JAK2 (0.41)
SCHEMBL3944495 0.79 HDAC8 (0.72) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL9610766 0.79 HDAC8 (0.72) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL3007610 0.78 HDAC8 (0.63) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL3007613 0.78 HDAC8 (0.63) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL4374376 0.78 JAK2 (0.61) HDAC8
SCHEMBL4374373 0.78 JAK2 (0.61) HDAC8
SCHEMBL4377740 0.78 JAK2 (0.61) HDAC8
SCHEMBL3667404 0.77 HDAC8 (0.64) HDAC8CTSSCTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 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 (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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA HDAC8 31/4885CTSS 2190/4885CTSK 1797/4885

“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.