SCHEMBL3079583

SCHEMBL3079583

O=C(O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 20/20 0.73
CTSB P07858 17/20 0.69
CTSS P25774 17/20 0.69
CTSK P43235 17/20 0.69

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
SCHEMBL14977141 1.00 CTSL (0.73) CTSLCTSBCTSSCTSK
SCHEMBL3067312 0.96 CTSL (0.68) CTSLCTSBCTSSCTSK
SCHEMBL3078477 0.95 CTSL (0.66) CTSLCTSBCTSSCTSK
SCHEMBL3076278 0.92 CTSL (0.73) CTSLCTSBCTSSCTSK
SCHEMBL14973560 0.92 CTSL (0.73) CTSLCTSBCTSSCTSK
SCHEMBL3060920 0.91 CTSL (0.62) CTSLCTSBCTSSCTSK
SCHEMBL3060809 0.90 CTSL (0.61) CTSLCTSBCTSSCTSK
SCHEMBL3071014 0.90 CTSL (0.61) CTSLCTSBCTSSCTSK
SCHEMBL3066405 0.90 CTSL (0.61) CTSLCTSBCTSSCTSK
SCHEMBL3064976 0.88 CTSL (0.65) CTSLCTSBCTSSCTSK

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 10 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 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
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 CTSL 178/4885CTSB 962/4885CTSS 1542/4885
US-20130137687-A1 NOVEL PYRROLIDINE DERIVATIVES PYCR1, PRMT7, PRLHR CTSL 1562/4885CTSB 1734/4885CTSS 2807/4885

“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.