SCHEMBL4043543

SCHEMBL4043543

O=C1CN(S(=O)(=O)C(=O)c2cccnc2)C2CCN(C(=O)C(CC(=O)N3CCOCC3)CC3CCCCC3)C12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.39
ALDH1A1 P00352 2/20 0.37
REN P00797 3/20 0.36
CTSL P07711 4/20 0.35
CTSK P43235 3/20 0.35

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
SCHEMBL4038283 0.89 ALDH1A1 (0.38) ALDH1A1RENCTSK
SCHEMBL4043230 0.89 CTSS (0.40) CTSSRENCTSLCTSK
SCHEMBL4038004 0.88 ALDH1A1 (0.37) CTSSALDH1A1CTSK
SCHEMBL4045536 0.87 CTSS (0.41) CTSSREN
SCHEMBL4043841 0.86 CTSS (0.40) CTSSRENCTSLCTSK
SCHEMBL4045986 0.82 CTSS (0.47) CTSSRENCTSLCTSK
SCHEMBL4043197 0.82 CTSS (0.43) CTSSALDH1A1RENCTSLCTSK
SCHEMBL4040388 0.81 CTSK (0.35) ALDH1A1RENCTSK
SCHEMBL4038660 0.81 REN (0.40) CTSSRENCTSLCTSK
SCHEMBL4041928 0.80 CTSK (0.35) ALDH1A1CTSK

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 claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
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 CTSS 3/4885ALDH1A1 4151/4885REN 1289/4885

“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.