SCHEMBL463938

SCHEMBL463938

CC(C)[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LONP1 P36776 9/20 0.65
PSMB5 P28074 6/20 0.65
PSMB11 A5LHX3 5/20 0.65
PSMA7 O14818 5/20 0.65
PSMB1 P20618 5/20 0.65
PSMA1 P25786 5/20 0.65
PSMA2 P25787 5/20 0.65
PSMA3 P25788 5/20 0.65
PSMA4 P25789 5/20 0.65
PSMB8 P28062 5/20 0.65
PSMB9 P28065 5/20 0.65
PSMA5 P28066 5/20 0.65
PSMB4 P28070 5/20 0.65
PSMB6 P28072 5/20 0.65
PSMB10 P40306 5/20 0.65
PSMB3 P49720 5/20 0.65
PSMB2 P49721 5/20 0.65
PSMA6 P60900 5/20 0.65
PSMA8 Q8TAA3 5/20 0.65
PSMB7 Q99436 5/20 0.65

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
SCHEMBL5837260 0.94 LONP1 (0.60) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL21968901 0.94 LONP1 (0.60) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL13928500 0.87 LONP1 (0.66) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL463940 0.87 LONP1 (0.60) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL446669 0.86 LONP1 (0.62) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL14096685 0.86 LONP1 (0.62) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL8306179 0.81 LONP1 (0.58) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL3221086 0.81 LONP1 (0.46) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL3221108 0.81 LONP1 (0.46) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL21968828 0.81 SMN1; SMN2 (0.52) LONP1PSMB5PSMB11PSMA7PSMB1

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 14 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-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-1636208-B1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMA (US) 2012-02-29 EP disclosed
US-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-19 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
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-01-22 US disclosed
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-01-22 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 (6 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-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES PRSS1, SERPINB1, SPINT2 LONP1 151/4885PSMB5 357/4885PSMB11 414/4885
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD LONP1 456/4885PSMB5 436/4885PSMB11 193/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD LONP1 456/4885PSMB5 436/4885PSMB11 193/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD LONP1 456/4885PSMB5 436/4885PSMB11 193/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP LONP1 540/4885PSMB5 606/4885PSMB11 347/4885
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 LONP1 156/4885PSMB5 360/4885PSMB11 436/4885

“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.