SCHEMBL3060577

SCHEMBL3060577

O=CN1C[C@H](S(=O)(=O)c2ccc(N3CCCCC3)cc2Cl)C[C@H]1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.40
NOTUM Q6P988 1/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSK P43235 2/20 0.38
HSD11B1 P28845 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37
EPHX2 P34913 1/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL3807046 1.00 CTSS (0.40) CTSSNOTUMLMNAMEN1KMT2A
SCHEMBL3067786 0.88 CTSS (0.40) CTSSNOTUMLMNACTSLCTSB
SCHEMBL700206 0.85 CTSS (0.45) CTSSNOTUMLMNAMEN1KMT2A
SCHEMBL3065886 0.84 CTSS (0.46) CTSSNOTUMLMNAMEN1KMT2A
SCHEMBL699864 0.83 CTSS (0.60) CTSSCTSLCTSB
SCHEMBL3065620 0.81 CTSS (0.47) CTSSCTSLMAPT
SCHEMBL3065779 0.80 CTSS (0.53) CTSSCTSLCTSB
SCHEMBL3073598 0.78 CTSS (0.58) CTSS
SCHEMBL3073773 0.77 DPP4 (0.40) CTSSNOTUMLMNAMEN1KMT2A
SCHEMBL15327191 0.76 CTSS (0.52) CTSSCTSLCTSB

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 CTSS 1542/4885NOTUM 2571/4885LMNA 3920/4885

“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.