SCHEMBL12401303

SCHEMBL12401303

CC(C)(C)C(=O)C(NC(=O)OCC1CCC1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
CTSK P43235 1/20 0.35
CNR2 P34972 5/20 0.34
CNR1 P21554 3/20 0.34
MGLL Q99685 2/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PTGIR P43119 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 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
SCHEMBL12401173 0.97 CTSK (0.37) HDAC3HDAC1HDAC2CTSKCNR2
SCHEMBL8241710 0.87 CTSK (0.35) HDAC3HDAC1HDAC2CTSKCNR2
SCHEMBL12467552 0.84 CTSK (0.34) HDAC3HDAC1HDAC2CTSKCNR2
SCHEMBL14943361 0.84 CTSK (0.38) HDAC3HDAC1HDAC2CTSKCNR2
SCHEMBL12401339 0.83 HDAC3 (0.41) HDAC3HDAC1HDAC2CNR2CNR1
SCHEMBL12401107 0.82 CTSK (0.38) HDAC3HDAC1HDAC2CTSKCNR2
SCHEMBL16328232 0.80 CTSK (0.38) HDAC3HDAC1HDAC2CTSKCNR2
SCHEMBL12401319 0.79 LMNA (0.42) HDAC3HDAC1HDAC2CNR2CNR1
SCHEMBL12401411 0.77 EPHX1 (0.40) HDAC1MGLL
SCHEMBL12412303 0.76 MGAM (0.40) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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 (4 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 HDAC3 886/4885HDAC1 675/4885HDAC2 1670/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 HDAC3 886/4885HDAC1 675/4885HDAC2 1670/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 HDAC3 1026/4885HDAC1 1075/4885HDAC2 2287/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 HDAC3 833/4885HDAC1 770/4885HDAC2 1503/4885

“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.