SCHEMBL2682964

SCHEMBL2682964

O=C(O)[C@@H]1C[C@H](S(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccnc(Cl)n1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.77
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL2716887 1.00 CTSS (0.77) CTSSTRPV1
SCHEMBL2682772 0.91 CTSS (0.77) CTSSTRPV1
SCHEMBL2717741 0.91 CTSS (0.77) CTSSTRPV1
SCHEMBL3056138 0.90 CTSS (0.80) CTSS
SCHEMBL2719518 0.89 CTSS (0.62) CTSSTRPV1
SCHEMBL2682621 0.89 CTSS (0.62) CTSSTRPV1
SCHEMBL2719521 0.89 CTSS (0.62) CTSSTRPV1
SCHEMBL4740893 0.87 CTSS (0.79) CTSSTRPV1
SCHEMBL2717163 0.87 CTSS (1.00) CTSS
SCHEMBL2685202 0.87 CTSS (1.00) CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635562-B1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2014-09-03 EP disclosed
EP-2635562-B1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2014-09-03 EP disclosed
EP-2635562-A1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-11 EP disclosed
US-8524710-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
US-8524710-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
US-8524710-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
WO-2012059507-A1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-10 WO disclosed
WO-2012059507-A1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-10 WO disclosed
US-20120115843-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-05-10 US disclosed
US-20120115843-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-05-10 US disclosed
US-20120115843-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-05-10 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-20120115843-A1 NOVEL PYRROLIDINE DERIVATIVES CTSD, CTSV, CTSS CTSS 3/4885TRPV1 1498/4885

“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.