SCHEMBL15219928

SCHEMBL15219928

CCNC(=O)C(=O)C(CC1CC1)NC

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
CTSS P25774 1/20 0.34
EPHX1 P07099 1/20 0.32
CAPN1 P07384 1/20 0.32
CTSL P07711 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL14943769 1.00 CTSK (0.34) CTSKGRNSORT1CTSSEPHX1
SCHEMBL12468297 0.86 CTSK (0.34) CTSKGRNSORT1CTSSEPHX1
SCHEMBL14943767 0.84 CTSK (0.36) CTSKGRNSORT1CTSSCTSL
SCHEMBL14943242 0.84 CTSK (0.36) CTSKGRNSORT1CTSSCTSL
SCHEMBL12401550 0.82 CTSK (0.37) CTSKGRNSORT1CTSSCTSL
SCHEMBL12401741 0.82 CTSK (0.37) CTSKGRNSORT1CTSSCTSL
SCHEMBL15368930 0.79 CTSK (0.36) CTSKGRNSORT1CTSSCTSL
SCHEMBL14943239 0.79 KMT2A (0.39) CTSKGRNSORT1CTSSCAPN1
SCHEMBL16328152 0.79 KMT2A (0.39) CTSKGRNSORT1CTSSCAPN1
SCHEMBL14943770 0.79 CTSK (0.36) CTSKGRNSORT1CTSSCTSL

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 5 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-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 CTSK 109/4885GRN 2008/4885SORT1 1865/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CTSK 240/4885GRN 2167/4885SORT1 1806/4885

“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.