SCHEMBL2104430

SCHEMBL2104430

COC(=O)C1CC(S(=O)(=O)c2ccccc2Cl)CN1C(=S)CC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.54
CTSL P07711 6/20 0.54
CTSB P07858 5/20 0.54
MMP2 P08253 2/20 0.43
CTSK P43235 2/20 0.42

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
SCHEMBL696507 1.00 CTSS (0.54) CTSSCTSLCTSBMMP2CTSK
SCHEMBL695606 1.00 CTSS (0.54) CTSSCTSLCTSBMMP2CTSK
SCHEMBL696793 0.89 CTSS (0.53) CTSSCTSLCTSBCTSK
SCHEMBL2105439 0.89 CTSS (0.53) CTSSCTSLCTSBCTSK
SCHEMBL2102815 0.87 CTSS (0.45) CTSSCTSLCTSBMMP2CTSK
SCHEMBL697392 0.87 CTSS (0.45) CTSSCTSLCTSBMMP2CTSK
SCHEMBL697028 0.86 CTSS (0.45) CTSSCTSLCTSBCTSK
SCHEMBL697112 0.86 CTSS (0.45) CTSSCTSLCTSBCTSK
SCHEMBL697027 0.86 CTSS (0.45) CTSSCTSLCTSBCTSK
SCHEMBL2105235 0.86 MMP2 (0.47) CTSSMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US 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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 CTSS 1542/4885CTSL 178/4885CTSB 962/4885

“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.