SCHEMBL416749

SCHEMBL416749

CCC[C@H](NC(=O)OCc1ccccc1)C(O)C(=O)N[C@@H](C)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.55
CTSL P07711 4/20 0.48
CTSS P25774 3/20 0.48
PRTN3 P24158 1/20 0.47
PSMB1 P20618 1/20 0.47
CTSB P07858 1/20 0.47
ELANE P08246 1/20 0.46
ATM Q13315 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46

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
SCHEMBL418665 0.87 CYP3A4 (0.53) CTSKCTSLCTSSPSMB1ATM
SCHEMBL418578 0.87 CYP3A4 (0.53) CTSKCTSLCTSSPSMB1ATM
SCHEMBL417361 0.85 CTSK (0.53) CTSKCTSLCTSSPRTN3ATM
SCHEMBL15271790 0.85 CTSK (0.53) CTSKCTSLCTSSPRTN3ATM
SCHEMBL416706 0.85 CTSK (0.53) CTSKCTSLCTSSPRTN3ATM
SCHEMBL25949256 0.85 CTSK (0.58) CTSKCTSLCTSSPRTN3CTSB
SCHEMBL13489693 0.85 CTSK (0.58) CTSKCTSLCTSSPRTN3CTSB
SCHEMBL14302358 0.85 CTSL (0.52) CTSKCTSLCTSSPSMB1CTSB
SCHEMBL8243623 0.84 TRPM8 (0.56) CTSKCTSLCTSSPRTN3CTSB
SCHEMBL8242655 0.84 TRPM8 (0.56) CTSKCTSLCTSSPRTN3CTSB

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 21 patents — showing the first 20. 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
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-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-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-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
EP-1878720-B1 Process for preparing chiral bicycloprolinates as intermediates for the preparation of peptidomimetic protease inhibitors VERTEX PHARMA (US) 2010-10-06 EP 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-1878720-A1 Process for preparing chiral bicycloprolinates as intermediates for the preparation of peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-01-16 EP disclosed
EP-1849797-A2 Peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2007-10-31 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 86/4885CTSL 6/4885CTSS 15/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD CTSK 86/4885CTSL 6/4885CTSS 15/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD CTSK 86/4885CTSL 6/4885CTSS 15/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP CTSK 46/4885CTSL 5/4885CTSS 8/4885

“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.