SCHEMBL4047726

SCHEMBL4047726

C=CCOC(=O)N[C@@H](CC(C)C)C(=O)NN(CC1C=CCN1C(=O)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.36
REN P00797 3/20 0.34
CASP1 P29466 1/20 0.34
CTSL P07711 2/20 0.34
CTSS P25774 1/20 0.34
MAPK1 P28482 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
SCHEMBL4047732 1.00 CTSK (0.36) CTSKRENCASP1CTSLCTSS
SCHEMBL4042041 0.89 CTSK (0.43) CTSKCTSLCTSS
SCHEMBL4044679 0.88 L3MBTL1 (0.35) CASP1
SCHEMBL4044674 0.88 L3MBTL1 (0.35) CASP1
SCHEMBL4039831 0.84 CTSK (0.48) CTSKCTSLCTSS
SCHEMBL4039844 0.84 CTSK (0.48) CTSKCTSLCTSS
SCHEMBL5941666 0.83 AKT1 (0.37) CTSKCASP1CTSLCTSS
SCHEMBL5941673 0.83 AKT1 (0.37) CTSKCASP1CTSLCTSS
SCHEMBL4042560 0.82 LARS1 (0.34) CTSKRENCTSS
SCHEMBL4042556 0.82 LARS1 (0.34) CTSKRENCTSS

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 4 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

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 CTSK 2/4885REN 1289/4885CASP1 312/4885

“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.