SCHEMBL3470048

SCHEMBL3470048

CC(C)COC1OC(=O)CC1N

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CTSC P53634 1/20 0.37
CTSF Q9UBX1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL7150924 0.80 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL5502298 0.80 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL3060283 0.80 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL3036948 0.80 SMN1; SMN2 (0.37) SMN1; SMN2
Hydrochloric Acid SCHEMBL7928006 0.79 SMN1; SMN2 (0.35) SMN1; SMN2
SCHEMBL8286842 0.77 SMN1; SMN2 (0.34) SMN1; SMN2MAPT
SCHEMBL8288852 0.77 SMN1; SMN2 (0.34) SMN1; SMN2MAPT
SCHEMBL3470835 0.77 SMN1; SMN2 (0.37) SMN1; SMN2THRBALOX15
SCHEMBL12949780 0.77 SMN1; SMN2 (0.37) SMN1; SMN2THRBALOX15
SCHEMBL8286845 0.77 SMN1; SMN2 (0.37) SMN1; SMN2THRBALOX15

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 13 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-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
EP-2261232-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 CTSV 137/4885CTSL 89/4885CTSB 77/4885
US-20030232986-A1 Inhibitors of caspases CASP1, APAF1, IRF3 CTSV 136/4885CTSL 93/4885CTSB 91/4885

“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.