SCHEMBL4040718

SCHEMBL4040718

CC(C)(C)OC(=O)[N+]1(CO)CC=CC1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.30
ELANE P08246 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2439447 0.78 CTSK (0.32) NR1H2TDP1
SCHEMBL7477261 0.78 CTSK (0.32) NR1H2TDP1
SCHEMBL1296518 0.77 HPGD (0.33) NR1H2TDP1
SCHEMBL4041544 0.76
SCHEMBL585129 0.73 CHRM2 (0.40) NR1H2
SCHEMBL3982250 0.68 TDP1 (0.33) TDP1
SCHEMBL8984073 0.66
SCHEMBL7603453 0.65 EPHX1 (0.31)
SCHEMBL16679215 0.65
SCHEMBL6701925 0.64 EPHX1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed
EP-0902036-A1 Peptide containing an arginine mimetic for the treatment of osteoporosis, their production, and drugs containing these compounds Roche Diagnostics GmbH (DE) 1999-03-17 EP 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 (1 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS NR1H2 106/4885ELANE 2454/4885TDP1 4715/4885

“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.