SCHEMBL3071883

SCHEMBL3071883

O=C(O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CN1C(=O)C1(C(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.56

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
SCHEMBL3056469 0.90 CTSS (0.58) CTSS
SCHEMBL3080083 0.89 CTSS (0.55) CTSS
SCHEMBL3060541 0.89 CTSS (0.55) CTSS
SCHEMBL3068299 0.88 CTSS (0.56) CTSS
SCHEMBL3056139 0.88 CTSS (0.45) CTSS
SCHEMBL3070230 0.87 CTSS (0.62) CTSS
SCHEMBL3066299 0.85 CTSS (0.58) CTSS
SCHEMBL20584474 0.85 CTSS (0.76) CTSS
SCHEMBL29417435 0.85 CTSS (0.78) CTSS
SCHEMBL695184 0.85 CTSS (0.78) 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 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
CN-108699044-B Novel pyrrolidine derivatives 豪夫迈·罗氏有限公司 2022-03-04 CN disclosed
US-10689339-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-23 US disclosed
EP-3419970-A1 NOVEL PYRROLIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2019-01-02 EP disclosed
US-20180362461-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-12-20 US disclosed
WO-2017144483-A1 NOVEL PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-08-31 WO disclosed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 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 (3 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-20180362461-A1 NOVEL PYRROLIDINE DERIVATIVES ARG2, PYCR1, ARG1 CTSS 2797/4885
US-10689339-B2 Pyrrolidine derivatives PYCR1, AVPR2, ARG2 CTSS 2385/4885
US-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 CTSS 1542/4885

“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.