SCHEMBL696245

SCHEMBL696245

CCOC(=O)C1CC(S(=O)(=O)c2ccccc2C(F)(F)F)CN1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.46
STS P08842 4/20 0.44
SFRP1 Q8N474 4/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
EPHX2 P34913 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL696610 0.89 STS (0.48) CTSSSTSSFRP1EPHX2
SCHEMBL27994030 0.87 KDM4E (0.42) CTSSKDM4EALDH1A1CTSLCTSB
SCHEMBL695276 0.85 CTSS (0.46) CTSSKDM4EALDH1A1CTSLCTSB
SCHEMBL702381 0.84 CTSS (0.45) CTSSKDM4EALDH1A1CTSLCTSB
SCHEMBL695840 0.82 CTSS (0.44) CTSSSTSSFRP1
SCHEMBL2106121 0.81 CTSS (0.58) CTSSCTSLCTSB
SCHEMBL697098 0.75 CTSS (0.49) CTSSKDM4EALDH1A1CTSLCTSB
SCHEMBL696246 0.74 CTSS (0.46) CTSSKDM4EALDH1A1CTSLCTSB
SCHEMBL696247 0.74 CTSS (0.46) CTSSKDM4EALDH1A1CTSLCTSB
SCHEMBL696248 0.74 CTSS (0.46) CTSSKDM4EALDH1A1CTSLCTSB

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 5 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
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 (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 1542/4885STS 3455/4885SFRP1 4109/4885

“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.