SCHEMBL8090691

SCHEMBL8090691

CC[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(O)C(=O)NC1CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
EPHX1 P07099 1/20 0.38
GAA P10253 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
BTK Q06187 1/20 0.34
DRD2 P14416 4/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
CTSK P43235 3/20 0.32
CTSS P25774 1/20 0.32
DRD3 P35462 1/20 0.32
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8088238 0.85 HDAC4 (0.35) HDAC4HDAC1HDAC6EPHX1GAA
SCHEMBL2377885 0.76 GAA (0.43) HDAC4HDAC1HDAC6EPHX1GAA
SCHEMBL13642116 0.73 EPHX2 (0.39) HDAC4HDAC1HDAC6EPHX1GAA
SCHEMBL7924110 0.72 HDAC4 (0.37) HDAC4HDAC1HDAC6EPHX1GAA
SCHEMBL8088886 0.71 SMYD3 (0.41) EPHX1KDM1AKMT2AEPHX2
SCHEMBL13360949 0.69 MEN1 (0.37) HDAC4HDAC1EPHX1GAABTK
SCHEMBL7937653 0.69 EPHX1 (0.50) HDAC4HDAC1HDAC6EPHX1GAA
SCHEMBL28677639 0.68 KMT2A (0.40) HDAC4HDAC1EPHX1KMT2AMEN1
Hydrochloric Acid SCHEMBL16007751 0.68 HDAC4 (0.46) HDAC4HDAC1HDAC6EPHX1GAA
SCHEMBL12688495 0.68 DRD2 (0.50) EPHX1GAAKDM1AMAOBBTK

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-20100074867-A1 P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-03-25 US disclosed
US-20100074867-A1 P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-03-25 US disclosed
WO-2009008913-A2 P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE SCHERING CORPORATION (US) 2009-01-15 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-20100074867-A1 P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE CTRL, PREP, CES1 HDAC4 1341/4885HDAC1 337/4885HDAC6 1218/4885

“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.