SCHEMBL12401677

SCHEMBL12401677

CCCC(NC(C)(C)C)C(=O)C(=O)NC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.52
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CTSS P25774 3/20 0.33
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSH P09668 1/20 0.32
TSHR P16473 3/20 0.32
CYP3A4 P08684 2/20 0.32
NFKB1 P19838 2/20 0.32
LMNA P02545 1/20 0.32
ADRA1A P35348 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
SCHEMBL12401696 0.88 CTSK (0.41) CTSKCTSSKMT2ACTSLCTSB
SCHEMBL12401728 0.87 CTSK (0.40) CTSKCTSSCTSLCTSBCA1
SCHEMBL12401682 0.85 CTSK (0.38) CTSKPSEN1PSEN2APH1BNCSTN
SCHEMBL12401535 0.84 CTSK (0.36) CTSKCTSSTSHRCYP3A4NFKB1
SCHEMBL12401532 0.84 CTSK (0.36) CTSKCTSSTSHRCYP3A4NFKB1
SCHEMBL12401639 0.82 CTSK (0.35) CTSKCTSSTSHRCYP3A4NFKB1
SCHEMBL12401542 0.81 CTSK (0.34) CTSKCTSSCTSLCTSBTSHR
SCHEMBL14943213 0.80 CTSK (0.49) CTSKPSEN1PSEN2APH1BNCSTN
SCHEMBL12404681 0.80 CYP2D6 (0.37) CTSKCTSSMEN1KMT2ARAB9A
SCHEMBL12401720 0.79 CTSK (0.39) CTSKCTSSTSHRCYP3A4NFKB1

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 CTSK 217/4885PSEN1 239/4885PSEN2 780/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 CTSK 217/4885PSEN1 239/4885PSEN2 780/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 CTSK 109/4885PSEN1 711/4885PSEN2 1894/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CTSK 240/4885PSEN1 272/4885PSEN2 643/4885

“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.