SCHEMBL464290

SCHEMBL464290

CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)(C)C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.45
CTSS P25774 9/20 0.45
CA2 P00918 3/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CYP2D6 P10635 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL90052 0.93 CA2 (0.50) CTSKCTSSCA2CA1CA7
SCHEMBL57432 0.93 CA2 (0.50) CTSKCTSSCA2CA1CA7
SCHEMBL83699 0.93 CA2 (0.50) CTSKCTSSCA2CA1CA7
SCHEMBL2228981 0.86 CTSS (0.47) CTSKCTSSCA2CA1CA7
SCHEMBL2228973 0.86 CTSS (0.47) CTSKCTSSCA2CA1CA7
SCHEMBL10257574 0.84 CA2 (0.44) CTSKCTSSCA2CA1CA7
SCHEMBL4293013 0.81 CA1 (0.47) CTSKCTSSCA2CA1CA7
SCHEMBL1176010 0.81 CA1 (0.47) CTSKCTSSCA2CA1CA7
SCHEMBL1176007 0.81 CA1 (0.47) CTSKCTSSCA2CA1CA7
SCHEMBL21834858 0.81 CA1 (0.50) CTSKCTSSCA2CA1CA7

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 10 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-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-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-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
US-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 US disclosed
EP-1876173-A1 Chiral intermediates for the preparation of peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-01-09 EP 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 15/4885CA2 3765/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD CTSK 86/4885CTSS 15/4885CA2 3765/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD CTSK 86/4885CTSS 15/4885CA2 3765/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP CTSK 46/4885CTSS 8/4885CA2 3324/4885

“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.