SCHEMBL464153

SCHEMBL464153

CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)C(=O)N[C@@H](C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.54
REN P00797 4/20 0.49
GABRB1 P18505 1/20 0.42
GABRB2 P47870 1/20 0.42
CTSS P25774 1/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TACR3 P29371 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
SCHEMBL417565 0.84 POLB (0.46) CTSKPOLBMEN1KMT2A
SCHEMBL12011311 0.83 REN (0.50) CTSKRENPOLB
SCHEMBL13092060 0.83 REN (0.50) CTSKRENPOLB
SCHEMBL12194533 0.82 REN (0.60) CTSKRENCTSS
SCHEMBL12194532 0.82 REN (0.43) CTSKRENCTSSMEN1KMT2A
SCHEMBL13318748 0.81 POLB (0.49) CTSKPOLBMEN1KMT2A
SCHEMBL417748 0.81 POLB (0.49) CTSKPOLBMEN1KMT2A
SCHEMBL12011312 0.79 REN (0.57) CTSKRENCTSSPOLB
SCHEMBL10261940 0.79 REN (0.57) CTSKRENCTSSPOLB
SCHEMBL15247712 0.79 CTSK (0.49) CTSKRENCTSS

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 13 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
EP-2368877-B1 Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection VERTEX PHARMA (US) 2014-05-07 EP 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
EP-2371839-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-05 EP disclosed
EP-2368878-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-28 EP disclosed
EP-2368901-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-28 EP disclosed
EP-2368877-A1 Chiral intermediates for the preparation of peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-28 EP 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 86/4885REN 2419/4885GABRB1 4296/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD CTSK 86/4885REN 2419/4885GABRB1 4296/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD CTSK 86/4885REN 2419/4885GABRB1 4296/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP CTSK 46/4885REN 1274/4885GABRB1 4372/4885

“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.