SCHEMBL1600915

SCHEMBL1600915

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.61
SYK P43405 1/20 0.60
ATM Q13315 1/20 0.52
PSEN1 P49768 3/20 0.52
PSEN2 P49810 3/20 0.52
APH1B Q8WW43 3/20 0.52
NCSTN Q92542 3/20 0.52
APH1A Q96BI3 3/20 0.52
PSENEN Q9NZ42 3/20 0.52
MAPT P10636 1/20 0.51
CTSS P25774 3/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
PPARA Q07869 1/20 0.49
APP P05067 1/20 0.48

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
SCHEMBL5741475 1.00 KLK5 (0.61) KLK5SYKATMPSEN1PSEN2
SCHEMBL15483355 0.91 SYK (0.67) KLK5SYKATMMAPTCTSS
SCHEMBL13349357 0.91 KLK5 (0.54) KLK5SYKPSEN1PSEN2APH1B
SCHEMBL15109523 0.89 SYK (0.61) KLK5SYKATMMAPTCTSS
SCHEMBL6931617 0.86 KLK5 (0.59) KLK5SYKATMPSEN1PSEN2
SCHEMBL7309908 0.86 KLK5 (0.65) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL29458743 0.85 SYK (0.59) KLK5SYKATMPSEN1PSEN2
SCHEMBL13307538 0.85 KLK5 (0.59) KLK5SYKATMPSEN1PSEN2
SCHEMBL975349 0.85 SYK (0.74) SYKATMMAPTCTSSCTSL
SCHEMBL9238345 0.85 KLK5 (0.58) KLK5SYKATMPSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919523-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-20090042973-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-7442718-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-28 US disclosed
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
EP-1637518-A2 Inhibitors of aspartyl protease Vertex Pharmaceuticals Incorporated (US) 2006-03-22 EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1620438-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-02-01 EP disclosed
EP-1159278-B1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2005-11-30 EP disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004094430-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-11-04 WO disclosed
US-20040127488-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2004-07-01 US disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed
US-6617350-B2 Sulfonamides which are aspartyl protease inhibitors; well suited for inhibiting HIV-1 and HIV-2 protease activity VERTEX PHARMACEUTICALS INCORPORATED 2003-09-09 US disclosed
US-20020198388-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2002-12-26 US disclosed
US-6319946-B1 BENZODIOXOLYLSULFONAMIDES; INHIBITING HIV-1 AND HIV-2 PROTEASE ACTIVITY VERTEX PHARMACEUTICALS INCORPORATED 2001-11-20 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-20090042973-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 KLK5 380/4885SYK 3348/4885ATM 4223/4885
US-20040127488-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 KLK5 380/4885SYK 3348/4885ATM 4223/4885
US-20020198388-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 KLK5 380/4885SYK 3348/4885ATM 4223/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 KLK5 3361/4885SYK 4306/4885ATM 870/4885

“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.