SCHEMBL3470095

SCHEMBL3470095

CCON(C(=O)C1CCCN1C(=O)C(C)NC(=O)OC(C)(C)C)C1COC(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 13/20 0.38
ACE P12821 2/20 0.38
KLK5 Q9Y337 1/20 0.35
ELANE P08246 1/20 0.34
LMNA P02545 1/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
CTSL P07711 1/20 0.33

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
SCHEMBL3469548 0.88 ACE (0.46) CMA1ACEKLK5F2PRSS1
SCHEMBL3470255 0.85 CTSL (0.45) CMA1ACEKLK5F2PRSS1
SCHEMBL3276289 0.85 ATM (0.41) LMNA
SCHEMBL5835526 0.85 ATM (0.41) LMNA
SCHEMBL3470332 0.80 ACE (0.45) CMA1ACEKLK5ELANEF2
SCHEMBL3271733 0.79 CASP1 (0.43) CMA1ACEELANECTSL
SCHEMBL4197944 0.76 PREP (0.42) ACELMNACTSL
SCHEMBL21166676 0.74 CTSL (0.51) CMA1ACEKLK5LMNACTSL
SCHEMBL3171815 0.73 TSHR (0.49) KLK5LMNA
SCHEMBL3269454 0.73 KLK7 (0.53) ACEKLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691848-B2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-08 US disclosed
EP-2261232-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
EP-2261233-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
EP-2261235-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
US-20090048226-A1 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
EP-2011800-A2 Inhibitors of caspase Vertex Pharmaceuticals Incorporated (US) 2009-01-07 EP disclosed
EP-1064298-B1 INHIBITORS OF CASPASES VERTEX PHARMA (US) 2008-10-08 EP disclosed
US-7358273-B2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-15 US disclosed
US-20030232986-A1 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED 2003-12-18 US disclosed
US-6531474-B1 Treating inflammatory disease, osteoarthritis, glomerulonephritis, rheumatoid arthritis, psoriasis, graft vs. host disease, sepsis, or septic shock VERTEX PHARMACEUTICALS INCORPORATED 2003-03-11 US disclosed
EP-1064298-A2 INHIBITORS OF CASPASES Vertex Pharmaceuticals Incorporated (US) 2001-01-03 EP disclosed
WO-1999047545-A2 INHIBITORS OF CASPASES VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-09-23 WO 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 (2 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-20090048226-A1 Inhibitors of caspases CASP1, APAF1, IRF3 CMA1 240/4885ACE 344/4885KLK5 2074/4885
US-20030232986-A1 Inhibitors of caspases CASP1, APAF1, IRF3 CMA1 220/4885ACE 339/4885KLK5 2108/4885

“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.