SCHEMBL352399

SCHEMBL352399

CC(C)(C)OC(=O)C1NCCC1C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.33
EPHX1 P07099 2/20 0.33
PREP P48147 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC1A2 P43004 1/20 0.30

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
SCHEMBL6016777 0.83 L3MBTL1 (0.38) HPGDGAAEPHX1PREPL3MBTL1
Hydrochloric Acid SCHEMBL10961983 0.81 L3MBTL1 (0.37) HPGDGAAEPHX1PREPL3MBTL1
SCHEMBL417787 0.79 L3MBTL1 (0.35) HPGDPREPL3MBTL1SLC1A2
SCHEMBL14723681 0.79 L3MBTL1 (0.35) HPGDPREPL3MBTL1SLC1A2
SCHEMBL2325752 0.79 L3MBTL1 (0.35) HPGDPREPL3MBTL1SLC1A2
SCHEMBL6648553 0.77 PKM (0.32)
SCHEMBL24039255 0.76 MAPK1 (0.37) GAASLC1A2
Oxalic Acid SCHEMBL14858176 0.76 PKM (0.34) HPGDPREPL3MBTL1SLC1A2
Oxalic Acid SCHEMBL1569405 0.76 PKM (0.34) HPGDPREPL3MBTL1SLC1A2
Oxalic Acid SCHEMBL1569384 0.76 PKM (0.34) HPGDPREPL3MBTL1SLC1A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618152-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-31 US disclosed
EP-1636208-B1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMA (US) 2012-02-29 EP disclosed
US-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-19 US disclosed
EP-2332935-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-15 EP disclosed
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-01-22 US disclosed
EP-1636208-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE Vertex Pharmaceuticals Incorporated (US) 2006-03-22 EP disclosed
US-20050090450-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS, INCORPORATED 2005-04-28 US disclosed
WO-2004092162-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS, INCORPORATED (US) 2004-10-28 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 (3 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-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES PRSS1, SERPINB1, SPINT2 HPGD 1580/4885GAA 396/4885EPHX1 1509/4885
US-20050090450-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease PRSS1, SERPINB1, SPINT2 HPGD 1566/4885GAA 386/4885EPHX1 1516/4885
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 HPGD 1493/4885GAA 372/4885EPHX1 1504/4885

“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.