SCHEMBL2106582

SCHEMBL2106582

COC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CN1c1cc(C)nn1C1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.61
CTSL P07711 2/20 0.61
CTSB P07858 2/20 0.61
CTSK P43235 2/20 0.61
P2RX7 Q99572 1/20 0.36
EPHX2 P34913 1/20 0.36
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL697627 1.00 CTSS (0.61) CTSSCTSLCTSBCTSKP2RX7
SCHEMBL696177 0.93 CTSS (0.69) CTSSCTSLCTSBCTSKEPHX2
SCHEMBL696178 0.93 CTSS (0.69) CTSSCTSLCTSBCTSKEPHX2
SCHEMBL696179 0.93 CTSS (0.69) CTSSCTSLCTSBCTSKEPHX2
SCHEMBL696118 0.92 CTSS (0.61) CTSSCTSLCTSBCTSKP2RX7
SCHEMBL696276 0.91 CTSS (0.51) CTSSCTSLCTSBCTSK
SCHEMBL696277 0.91 CTSS (0.51) CTSSCTSLCTSBCTSK
SCHEMBL2105619 0.91 CTSS (0.51) CTSSCTSLCTSBCTSK
SCHEMBL699107 0.90 CTSS (0.49) CTSSCTSLCTSBCTSKP2RX7
SCHEMBL13148614 0.89 CTSS (0.60) 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 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.