SCHEMBL2105017

SCHEMBL2105017

COC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CN1c1cc(C)nn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.52
CTSL P07711 2/20 0.52
CTSB P07858 2/20 0.52
CTSK P43235 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.36
TRPA1 O75762 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
SCHEMBL697407 1.00 CTSS (0.52) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL696805 0.91 CTSS (0.50) CTSSCTSLCTSBCTSK
SCHEMBL695448 0.88 CTSS (0.49) CTSSCTSLCTSBCTSK
SCHEMBL695447 0.88 CTSS (0.49) CTSSCTSLCTSBCTSK
SCHEMBL695446 0.88 CTSS (0.49) CTSSCTSLCTSBCTSK
SCHEMBL2104910 0.86 CTSS (0.49) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL695189 0.86 CTSS (0.49) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL694047 0.86 CTSS (0.56) CTSS
SCHEMBL696422 0.85 SMN1; SMN2 (0.41) CTSSCTSLCTSBCTSKSMN1; SMN2
SCHEMBL2105284 0.85 SMN1; SMN2 (0.41) CTSSCTSLCTSBCTSKSMN1; SMN2

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.