SCHEMBL3470255

SCHEMBL3470255

CC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1C(=O)N(OCc1ccccc1)C1COC(=O)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.45
ACE P12821 1/20 0.44
CMA1 P23946 11/20 0.43
PREP P48147 2/20 0.43
FKBP1A P62942 2/20 0.42
KLK5 Q9Y337 1/20 0.41
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39

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 0.98 ACE (0.46) CTSLACECMA1PREPKLK5
SCHEMBL4197944 0.92 PREP (0.42) CTSLACEPREPFKBP1A
SCHEMBL3470332 0.90 ACE (0.45) CTSLACECMA1KLK5F2
SCHEMBL3470498 0.87 KLK7 (0.50) FKBP1A
SCHEMBL3470095 0.85 CMA1 (0.38) CTSLACECMA1KLK5F2
SCHEMBL3269454 0.84 KLK7 (0.53) ACEPREPFKBP1AKLK5
SCHEMBL3271733 0.80 CASP1 (0.43) CTSLACECMA1PREPFKBP1A
SCHEMBL9699149 0.77 PREP (0.61) CTSLACECMA1PREPFKBP1A
SCHEMBL10882017 0.77 PREP (0.61) CTSLACECMA1PREPFKBP1A
SCHEMBL28545846 0.77 PREP (0.61) CTSLACECMA1PREPFKBP1A

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 10 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-2261235-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP 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-2261234-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
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

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 CTSL 89/4885ACE 344/4885CMA1 240/4885
US-20030232986-A1 Inhibitors of caspases CASP1, APAF1, IRF3 CTSL 93/4885ACE 339/4885CMA1 220/4885

“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.