SCHEMBL3066563

SCHEMBL3066563

O=C(O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(N3CCC(F)(F)C3)cc2C(F)(F)F)CN1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.47
NOTUM Q6P988 6/20 0.36
HDAC4 P56524 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
HSD11B1 P28845 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
SCHEMBL2108232 0.86 CTSS (0.69) CTSS
SCHEMBL3060559 0.86 HDAC4 (0.37) CTSSNOTUMHDAC4DPP4DPP8
Hydrochloric Acid SCHEMBL697030 0.86 CTSS (0.68) CTSS
SCHEMBL3066372 0.84 SIRT6 (0.43) CTSSNOTUMDPP4HSD11B1
SCHEMBL3066021 0.84 CNR2 (0.43) CTSSNOTUMHSD11B1
SCHEMBL3802607 0.81 NOTUM (0.44) CTSSNOTUMHDAC4DPP4DPP8
SCHEMBL3061372 0.80 HSD11B1 (0.41) CTSSNOTUMDPP4HSD11B1
SCHEMBL3068054 0.79 CTSS (0.41) CTSS
SCHEMBL15327278 0.79 CTSS (0.52) CTSS
SCHEMBL3056432 0.78 CTSS (0.41) CTSS

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 2571/4885HDAC4 2174/4885

“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.