SCHEMBL14943231

SCHEMBL14943231

CNC(=O)C(=O)C(CC1CCC1)NC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.35
CTSS P25774 4/20 0.35
MMP1 P03956 3/20 0.34
MMP3 P08254 1/20 0.34
CNR2 P34972 1/20 0.33
CTSL P07711 3/20 0.33
CTSB P07858 3/20 0.33
CTSH P09668 2/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
CPB2 Q96IY4 2/20 0.32
MMP13 P45452 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL16328153 1.00 CTSK (0.35) CTSKCTSSMMP1MMP3CNR2
SCHEMBL14943242 0.93 CTSK (0.36) CTSKCTSSMMP1MMP3CNR2
SCHEMBL14943767 0.93 CTSK (0.36) CTSKCTSSMMP1MMP3CNR2
SCHEMBL12401557 0.85 CPB2 (0.37) CTSKCTSSMMP1MMP3CNR2
SCHEMBL14943710 0.85 SMN1; SMN2 (0.37) CTSKCTSSCTSLCTSBCTSH
SCHEMBL12401556 0.85 CPB2 (0.37) CTSKCTSSMMP1MMP3CNR2
SCHEMBL8227114 0.82 CTSK (0.38) CTSKCTSSCTSLCTSBCTSH
SCHEMBL15368930 0.81 CTSK (0.36) CTSKCTSSCTSLCTSBCTSH
SCHEMBL14943770 0.81 CTSK (0.36) CTSKCTSSCTSLCTSBCTSH
SCHEMBL15219895 0.80 CTSK (0.34) CTSKCTSSCTSLCTSBCTSH

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 10 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
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 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 CTSK 217/4885CTSS 67/4885MMP1 523/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 CTSK 217/4885CTSS 67/4885MMP1 523/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 CTSK 109/4885CTSS 31/4885MMP1 871/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CTSK 240/4885CTSS 77/4885MMP1 599/4885

“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.