SCHEMBL3470249

SCHEMBL3470249

CC(C)CC(C(=O)O)N1CCC(NC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
GAA P10253 1/20 0.39
ACE P12821 2/20 0.38
MAPK1 P28482 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
TSHR P16473 1/20 0.38
CTSK P43235 2/20 0.38

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
SCHEMBL24403220 1.00 MME (0.41) MMEITGB3ITGA2BGAAACE
SCHEMBL13928417 1.00 MME (0.41) MMEITGB3ITGA2BGAAACE
SCHEMBL29865950 0.90 GAA (0.38) ITGB3ITGA2BGAAF2F10
SCHEMBL6564079 0.88 GAA (0.40) GAAACEF2F10PRSS1
SCHEMBL4704301 0.86 GAA (0.39) GAAF2F10PRSS1TSHR
SCHEMBL5936027 0.86 GAA (0.39) GAAF2F10PRSS1TSHR
SCHEMBL29866112 0.85 F2 (0.35) ITGB3ITGA2BGAAF2F10
SCHEMBL6800616 0.84 GAA (0.43) GAAACEF2F10PRSS1
SCHEMBL6800613 0.84 GAA (0.43) GAAACEF2F10PRSS1
SCHEMBL6802644 0.84 GAA (0.43) GAAACEF2F10PRSS1

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-2261234-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
EP-2261233-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
CN-1321129-C Caspase inhibitors VERTEX PHARMA (US) 2007-06-13 CN 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
CN-1323314-A Inhibitors of caspases VERTEX PHARMA (US) 2001-11-21 CN 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 MME 1230/4885ITGB3 4289/4885ITGA2B 4015/4885
US-20030232986-A1 Inhibitors of caspases CASP1, APAF1, IRF3 MME 1053/4885ITGB3 4374/4885ITGA2B 4291/4885

“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.