SCHEMBL3065620

SCHEMBL3065620

O=CN1C[C@H](S(=O)(=O)c2ccc(-n3cccn3)cc2Cl)C[C@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.47
AVPR2 P30518 1/20 0.36
KAT7 O95251 2/20 0.35
MAPT P10636 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
KAT5 Q92993 1/20 0.35
CTSL P07711 1/20 0.34

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
SCHEMBL698949 0.87 CTSS (0.46) CTSSAVPR2CTSL
SCHEMBL15327123 0.85 CTSS (0.46) CTSSCTSL
SCHEMBL15327124 0.85 CTSS (0.46) CTSSCTSL
SCHEMBL3067673 0.85 CTSS (0.46) CTSSCTSL
SCHEMBL699918 0.84 CTSS (0.59) CTSSCTSL
SCHEMBL3796069 0.81 CTSS (0.48) CTSSAVPR2KAT7MAPTFFAR4
SCHEMBL3792688 0.81 CTSS (0.48) CTSSAVPR2KAT7MAPTFFAR4
SCHEMBL3794179 0.81 CTSS (0.48) CTSSAVPR2KAT7MAPTFFAR4
SCHEMBL3796638 0.81 CTSS (0.48) CTSSAVPR2KAT7MAPTFFAR4
SCHEMBL3796532 0.81 CTSS (0.48) CTSSAVPR2KAT7MAPTFFAR4

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 1542/4885AVPR2 25/4885KAT7 4107/4885

“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.