SCHEMBL3065733

SCHEMBL3065733

O=C(O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(-n3cccn3)cc2Cl)CN1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.46
AVPR2 P30518 1/20 0.38
KAT7 O95251 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
KAT5 Q92993 1/20 0.36
NOTUM Q6P988 1/20 0.36
KAT6A Q92794 2/20 0.36
HTR6 P50406 2/20 0.35
MAPT P10636 1/20 0.35
GHSR Q92847 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
HDAC4 P56524 1/20 0.34
KDM6B O15054 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
SCHEMBL3066271 0.85 CTSS (0.43) CTSSFFAR4KAT6A
SCHEMBL699137 0.83 CTSS (0.55) CTSS
SCHEMBL3796069 0.82 CTSS (0.48) CTSSAVPR2KAT7FFAR4KAT5
SCHEMBL3792688 0.82 CTSS (0.48) CTSSAVPR2KAT7FFAR4KAT5
SCHEMBL3796638 0.82 CTSS (0.48) CTSSAVPR2KAT7FFAR4KAT5
SCHEMBL3794179 0.82 CTSS (0.48) CTSSAVPR2KAT7FFAR4KAT5
SCHEMBL3796532 0.82 CTSS (0.48) CTSSAVPR2KAT7FFAR4KAT5
SCHEMBL27929859 0.82 CTSS (0.43) CTSSAVPR2KAT7KAT5HTR6
SCHEMBL698949 0.80 CTSS (0.46) CTSSAVPR2
SCHEMBL3073773 0.79 DPP4 (0.40) CTSSAVPR2NOTUMMAPTMEN1

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.