SCHEMBL13622689

SCHEMBL13622689

CC(C)(C)OC(=O)N[C@@H](CN)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.47
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
GAA P10253 1/20 0.44
DPP4 P27487 1/20 0.44
AAK1 Q2M2I8 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
BTK Q06187 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
ALDH1A1 P00352 1/20 0.38
CACNA1B Q00975 1/20 0.37

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
SCHEMBL8282037 1.00 EPHX1 (0.47) EPHX1HDAC4HDAC1HDAC6CTSS
SCHEMBL8137772 1.00 EPHX1 (0.47) EPHX1HDAC4HDAC1HDAC6CTSS
SCHEMBL2520370 0.98 EPHX1 (0.44) EPHX1HDAC4HDAC1HDAC6CTSS
SCHEMBL9106183 0.92 CA1 (0.42) EPHX1HDAC4HDAC1HDAC6CTSS
SCHEMBL9106188 0.92 CA1 (0.42) EPHX1HDAC4HDAC1HDAC6CTSS
SCHEMBL2702388 0.86 EPHX1 (0.48) EPHX1HDAC4HDAC1HDAC6CTSS
SCHEMBL1414447 0.86 EPHX1 (0.48) EPHX1HDAC4HDAC1HDAC6CTSS
SCHEMBL3122584 0.86 EPHX1 (0.48) EPHX1HDAC4HDAC1HDAC6CTSS
SCHEMBL12733104 0.86 EPHX1 (0.48) EPHX1HDAC4HDAC1HDAC6CTSS
SCHEMBL5386812 0.85 EPHX1 (0.45) EPHX1HDAC4HDAC1HDAC6CTSS

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-7619094-B2 Ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus SCHERING CORPORATION (US) 2009-11-17 US disclosed
US-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 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-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus PREP, PRSS1, P4HB EPHX1 751/4885HDAC4 1110/4885HDAC1 591/4885

“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.