SCHEMBL701681

SCHEMBL701681

COC(=O)C1CC(S(=O)(=O)c2ccccc2Cl)CN1c1cc(C)nn1Cc1cncn1C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.51
CTSL P07711 7/20 0.36
CTSB P07858 5/20 0.36
P2RX7 Q99572 1/20 0.33
CTSK P43235 2/20 0.33
PDE10A Q9Y233 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
SCHEMBL701680 1.00 CTSS (0.51) CTSSCTSLCTSBP2RX7CTSK
SCHEMBL700523 0.91 CTSS (0.47) CTSSCTSLCTSBP2RX7PDE10A
SCHEMBL3070227 0.91 CTSS (0.47) CTSSCTSLCTSBP2RX7PDE10A
SCHEMBL699528 0.91 CTSS (0.47) CTSSCTSLCTSBP2RX7PDE10A
Lithium Ion SCHEMBL699527 0.90 CTSS (0.41) CTSSCTSLCTSBP2RX7PDE10A
SCHEMBL694626 0.87 CTSS (0.52) CTSSCTSLCTSBCTSK
SCHEMBL694625 0.87 CTSS (0.52) CTSSCTSLCTSBCTSK
SCHEMBL694624 0.87 CTSS (0.52) CTSSCTSLCTSBCTSK
SCHEMBL696326 0.85 CTSS (0.55) CTSSCTSLCTSB
SCHEMBL2104321 0.85 CTSS (0.51) CTSSCTSLCTSBCTSK

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-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
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO 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.