SCHEMBL13622671

SCHEMBL13622671

CC(C)(C)OC(=O)N[C@@H](CN1C(=O)c2ccccc2S1(=O)=O)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.54
TPSD1 Q9BZJ3 1/20 0.54
TPSG1 Q9NRR2 1/20 0.54
KDM4E B2RXH2 1/20 0.52
CA12 O43570 6/20 0.50
CA9 Q16790 6/20 0.50
CA2 P00918 4/20 0.49
ELANE P08246 2/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALOX15 P16050 1/20 0.46
KMT2A Q03164 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL8282041 1.00 TPSAB1 (0.54) TPSAB1TPSD1TPSG1KDM4ECA12
SCHEMBL12601260 0.81 CA12 (0.56) KDM4ECA12CA9CA2ELANE
SCHEMBL13622642 0.80 ALDH1A1 (0.43) CA12CA9ALDH1A1MAPTKMT2A
SCHEMBL8178666 0.80 ALDH1A1 (0.43) CA12CA9ALDH1A1MAPTKMT2A
SCHEMBL8282957 0.80 ALDH1A1 (0.43) CA12CA9ALDH1A1MAPTKMT2A
SCHEMBL5034745 0.78 TPSAB1 (0.55) TPSAB1TPSD1TPSG1KDM4ECA12
SCHEMBL12600751 0.78 CA12 (0.52) KDM4ECA12CA9CA2ELANE
SCHEMBL13622666 0.76 PER2 (0.45) TDP1
SCHEMBL8282965 0.76 PER2 (0.45) TDP1
SCHEMBL13622796 0.74 KDM4E (0.44) KDM4ENPC1RAB9AALOX15KMT2A

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 TPSAB1 640/4885TPSD1 960/4885TPSG1 1100/4885

“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.