SCHEMBL2106914

SCHEMBL2106914

N#CC1(NC(=O)C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.42
CTSS P25774 10/20 0.41
CTSK P43235 10/20 0.41
CTSB P07858 9/20 0.41
CTSL P07711 7/20 0.39

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
Hydrochloric Acid SCHEMBL5568383 0.79 CTSS (0.36) CTSCCTSSCTSKCTSB
SCHEMBL23851345 0.79 POLB (0.42)
SCHEMBL15906757 0.79 CTSL (0.42) CTSCCTSSCTSKCTSBCTSL
SCHEMBL5567075 0.78 CTSS (0.46) CTSSCTSKCTSBCTSL
SCHEMBL19093474 0.78 OPRM1 (0.49) CTSSCTSBCTSL
SCHEMBL1684776 0.76 CTSS (0.43) CTSSCTSKCTSBCTSL
SCHEMBL18098235 0.76
SCHEMBL22826896 0.73 CTSL (0.42) CTSCCTSSCTSKCTSBCTSL
SCHEMBL1935295 0.73
SCHEMBL26880884 0.72 CTSL (0.38) CTSCCTSSCTSKCTSBCTSL

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-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
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 CTSC 606/4885CTSS 1542/4885CTSK 1586/4885

“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.