SCHEMBL14943705

SCHEMBL14943705

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.35
CTSS P25774 1/20 0.32
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL12401639 0.85 CTSK (0.35) CTSKCTSSHDAC7HDAC8HDAC6
SCHEMBL14943403 0.84 HDAC7 (0.35) CTSKCTSSHDAC7HDAC8HDAC6
SCHEMBL15219598 0.84 HDAC7 (0.35) CTSKCTSSHDAC7HDAC8HDAC6
SCHEMBL15219926 0.77 CAPN1 (0.34) CTSKCTSSHDAC7HDAC8HDAC6
SCHEMBL14943228 0.77 CAPN1 (0.34) CTSKCTSSHDAC7HDAC8HDAC6
SCHEMBL14943456 0.76 ANPEP (0.36) CTSKHDAC7HDAC8HDAC6HDAC9
SCHEMBL12401535 0.76 CTSK (0.36) CTSKCTSSHDAC7HDAC8HDAC6
SCHEMBL12401532 0.76 CTSK (0.36) CTSKCTSSHDAC7HDAC8HDAC6
SCHEMBL14943213 0.76 CTSK (0.49) CTSKCTSSHDAC7HDAC8HDAC6
SCHEMBL14943221 0.74 CA12 (0.37) CTSKHDAC7HDAC8HDAC6HDAC9

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
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-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 67/4885HDAC7 1727/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 CTSK 217/4885CTSS 67/4885HDAC7 1727/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 CTSK 109/4885CTSS 31/4885HDAC7 1838/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CTSK 240/4885CTSS 77/4885HDAC7 1887/4885

“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.