SCHEMBL695350

SCHEMBL695350

O=C(O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.64
CTSL P07711 2/20 0.64
CTSK P43235 2/20 0.64
CTSB P07858 1/20 0.64
ENPP2 Q13822 1/20 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
SCHEMBL695351 1.00 CTSS (0.64) CTSSCTSLCTSKCTSBENPP2
SCHEMBL697156 0.89 CTSS (0.65) CTSSCTSLCTSKCTSBENPP2
SCHEMBL697158 0.89 CTSS (0.65) CTSSCTSLCTSKCTSBENPP2
SCHEMBL697157 0.89 CTSS (0.65) CTSSCTSLCTSKCTSBENPP2
SCHEMBL695624 0.85 CTSS (0.65) CTSSCTSLCTSKCTSB
SCHEMBL696826 0.85 CTSS (0.59) CTSSCTSLCTSKCTSB
SCHEMBL695466 0.84 CTSS (0.64) CTSSCTSLCTSKCTSB
SCHEMBL695509 0.83 CTSS (0.60) CTSSCTSLCTSKCTSB
SCHEMBL696749 0.82 CTSS (0.63) CTSSCTSLCTSKCTSB
SCHEMBL696748 0.82 CTSS (0.63) CTSSCTSLCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782903-B1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN HOFFMANN LA ROCHE (CH) 2016-04-06 EP claimed
EP-2782903-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN F.HOFFMANN-LA ROCHE AG (CH) 2014-10-01 EP claimed
US-8729061-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US claimed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP claimed
US-20130137687-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-30 US claimed
WO-2013076063-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN F. HOFFMANN-LA ROCHE AG (CH) 2013-05-30 WO claimed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US claimed
EP-2782903-B1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN HOFFMANN LA ROCHE (CH) 2016-04-06 EP disclosed
EP-2782903-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN F.HOFFMANN-LA ROCHE AG (CH) 2014-10-01 EP disclosed
US-8729061-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-20130137687-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-30 US disclosed
WO-2013076063-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN F. HOFFMANN-LA ROCHE AG (CH) 2013-05-30 WO 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 (2 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 178/4885CTSK 1586/4885
US-20130137687-A1 NOVEL PYRROLIDINE DERIVATIVES PYCR1, PRMT7, PRLHR CTSS 2807/4885CTSL 1562/4885CTSK 2856/4885

“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.