SCHEMBL13622668

SCHEMBL13622668

CC(C)(C)OC(=O)N[C@@H](CN1CCCC1=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
TSHR P16473 1/20 0.41
CTSK P43235 2/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
CTSS P25774 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 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
SCHEMBL8283591 1.00 PIK3CD (0.45) PIK3CDTSHRCTSKCTSLCTSB
SCHEMBL8284145 0.86 CA1 (0.50) PIK3CDTSHRCTSKCTSLCTSB
SCHEMBL14584270 0.86 CA1 (0.50) PIK3CDTSHRCTSKCTSLCTSB
SCHEMBL13622634 0.86 CA1 (0.50) PIK3CDTSHRCTSKCTSLCTSB
SCHEMBL13622672 0.84 CA1 (0.40) TSHRCTSKCTSLCTSBCA1
SCHEMBL24189152 0.83 PIK3CD (0.44) PIK3CDTSHRCTSKCTSLCTSB
SCHEMBL24189108 0.83 PIK3CD (0.44) PIK3CDTSHRCTSKCTSLCTSB
SCHEMBL24189127 0.83 PIK3CD (0.44) PIK3CDTSHRCTSKCTSLCTSB
SCHEMBL16119379 0.83 PIK3CD (0.44) PIK3CDTSHRCTSKCTSLCTSB
SCHEMBL30395398 0.83 PIK3CD (0.44) PIK3CDTSHRCTSKCTSLCTSB

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 PIK3CD 850/4885TSHR 4715/4885CTSK 949/4885

“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.