SCHEMBL418584

SCHEMBL418584

CCCC(N)C(O)C(=O)NCC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.42
CTSS P25774 2/20 0.42
ANPEP P15144 2/20 0.39
DNPEP Q9ULA0 2/20 0.39
BIRC2 Q13490 1/20 0.36
METAP2 P50579 9/20 0.35
METAP1 P53582 4/20 0.35
PTPRC P08575 2/20 0.33
CYP2D6 P10635 1/20 0.33
LAP3 P28838 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL12012641 0.88 ANPEP (0.37) CTSKCTSSANPEPDNPEPBIRC2
SCHEMBL7734253 0.86 BIRC2 (0.44) ANPEPDNPEPBIRC2METAP2METAP1
SCHEMBL12442850 0.79 ALDH1A1 (0.44) ANPEPDNPEPMETAP2METAP1LAP3
SCHEMBL13707800 0.77 TSHR (0.40) ANPEPDNPEPBIRC2METAP2METAP1
SCHEMBL7724648 0.77 ANPEP (0.47) ANPEPDNPEPMETAP2METAP1LAP3
SCHEMBL7359911 0.75 METAP2 (0.57) CTSKCTSSMETAP2METAP1
Hydrochloric Acid SCHEMBL14974409 0.75 ANPEP (0.46) ANPEPDNPEPMETAP2METAP1LAP3
SCHEMBL27072723 0.75 CYP2D6 (0.39) CTSKCTSSPTPRCCYP2D6MEN1
SCHEMBL18924130 0.75 CYP2D6 (0.39) CTSKCTSSPTPRCCYP2D6MEN1
SCHEMBL13707811 0.73 CYP1A2 (0.51) CTSSANPEPDNPEPMETAP2METAP1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-8252923-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-28 US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
US-7820671-B2 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
US-7820671-B2 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
US-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD CTSK 86/4885CTSS 15/4885ANPEP 27/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD CTSK 86/4885CTSS 15/4885ANPEP 27/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD CTSK 86/4885CTSS 15/4885ANPEP 27/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP CTSK 46/4885CTSS 8/4885ANPEP 24/4885

“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.