SCHEMBL15219895

SCHEMBL15219895

CNC(CC1CCC1)C(=O)C(=O)NCC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.34
CTSS P25774 5/20 0.33
CPB2 Q96IY4 1/20 0.32
CTSL P07711 4/20 0.31
CTSB P07858 3/20 0.31
CTSH P09668 2/20 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
SCHEMBL12504722 0.86 CPB2 (0.33) CTSKCTSSCPB2CTSLCTSB
SCHEMBL14943231 0.80 CTSK (0.35) CTSKCTSSCPB2CTSLCTSB
SCHEMBL16328153 0.80 CTSK (0.35) CTSKCTSSCPB2CTSLCTSB
SCHEMBL14943710 0.76 SMN1; SMN2 (0.37) CTSKCTSSCPB2CTSLCTSB
SCHEMBL15219928 0.75 CTSK (0.34) CTSKCTSSCTSL
SCHEMBL14943769 0.75 CTSK (0.34) CTSKCTSSCTSL
SCHEMBL15219659 0.74 CTSK (0.35) CTSKCTSSCTSLCTSB
SCHEMBL16328154 0.74 CTSK (0.35) CTSKCTSSCTSLCTSB
SCHEMBL8227114 0.73 CTSK (0.38) CTSKCTSSCPB2CTSLCTSB
SCHEMBL14943767 0.73 CTSK (0.36) CTSKCTSSCTSL

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-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-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 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 109/4885CTSS 31/4885CPB2 95/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CTSK 240/4885CTSS 77/4885CPB2 92/4885

“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.