SCHEMBL3074863

SCHEMBL3074863

O=C(O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(N3CCOCC3=O)cc2C(F)(F)F)CN1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.40
CTSS P25774 2/20 0.40
CMA1 P23946 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
MAP4K1 Q92918 1/20 0.34
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3056432 0.87 CTSS (0.41) CTSSCMA1
SCHEMBL3068054 0.86 CTSS (0.41) CTSSKDM4EALDH1A1KMT2A
SCHEMBL3066021 0.86 CNR2 (0.43) CTSSCNR2
SCHEMBL696035 0.85 CTSS (0.63) CTSS
Hydrochloric Acid SCHEMBL696067 0.84 CTSS (0.62) CTSS
SCHEMBL15327338 0.78 CTSS (0.47) CTSS
SCHEMBL3066372 0.78 SIRT6 (0.43) CTSSKMT2A
SCHEMBL3067159 0.77 CTSS (0.46) F10CTSS
SCHEMBL3066563 0.77 CTSS (0.47) CTSS
SCHEMBL3077827 0.76 CTSS (0.48) CTSSCNR2

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 claimed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US claimed
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 (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 F10 2038/4885CTSS 1542/4885CMA1 907/4885

“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.