SCHEMBL3067786

SCHEMBL3067786

CCN1CCN(c2ccc(S(=O)(=O)[C@@H]3C[C@@H](C(=O)O)N(C=O)C3)c(Cl)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSK P43235 2/20 0.40
HSD11B1 P28845 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
NOTUM Q6P988 1/20 0.36
DRD3 P35462 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL3060577 0.88 CTSS (0.40) CTSSCTSLCTSBCTSKHSD11B1
SCHEMBL3807046 0.88 CTSS (0.40) CTSSCTSLCTSBCTSKHSD11B1
SCHEMBL2106066 0.84 CTSS (0.58) CTSSCTSLCTSB
SCHEMBL3794165 0.82 CTSS (0.43) CTSSCTSLCTSBCTSKHSD11B1
SCHEMBL3793078 0.82 CTSS (0.43) CTSSCTSLCTSBCTSKHSD11B1
SCHEMBL3072436 0.80 CTSS (0.55) CTSSCTSLCTSBCTSK
SCHEMBL3060725 0.79 CTSS (0.40) CTSSKDM2BDRD3HRH3
SCHEMBL15327449 0.78 CTSS (0.51) CTSSCTSLCTSBCTSK
SCHEMBL695659 0.77 CTSS (0.43) CTSSCTSLCTSBCTSK
SCHEMBL3066193 0.77 HSD11B1 (0.44) CTSSHSD11B1NOTUM

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 4 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
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 1542/4885CTSL 178/4885CTSB 962/4885

“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.