SCHEMBL4205113

SCHEMBL4205113

CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NC1CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CTSK P43235 9/20 0.43
CTSS P25774 5/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
EPHX1 P07099 1/20 0.39
BTK Q06187 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 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
SCHEMBL4195367 1.00 HDAC4 (0.47) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL861489 1.00 HDAC4 (0.47) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL4214930 1.00 HDAC4 (0.47) HDAC4HDAC1HDAC6CTSKCTSS
Hydrochloric Acid SCHEMBL16007751 0.88 HDAC4 (0.46) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL500438 0.85 HDAC4 (0.44) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL3687446 0.85 HDAC4 (0.44) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL861583 0.85 HDAC4 (0.44) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL24190473 0.84 HDAC4 (0.41) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL3725538 0.82 CTSS (0.50) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL742779 0.82 CTSS (0.50) HDAC4HDAC1HDAC6CTSKCTSS

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-8183413-B2 Process for production of β-amino-α-hydroxy carboxamide derivative KANEKA CORPORATION (JP) 2012-05-22 US disclosed
US-20090312577-A1 Process for Production of Beta-Amino-Alpha-Hydroxy Carbonxamide Derivative KANEKA CORPORATION (JP) 2009-12-17 US disclosed
EP-1988073-A1 PROCESS FOR PRODUCTION OF BETA-AMINO-ALPHA-HYDROXY ACID AMIDE DERIVATIVE Kaneka Corporation (JP) 2008-11-05 EP 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-20090312577-A1 Process for Production of Beta-Amino-Alpha-Hydroxy Carbonxamide Derivative PTMA, ATIC, HCAR2 HDAC4 1731/4885HDAC1 1980/4885HDAC6 2558/4885

“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.