SCHEMBL3064759

SCHEMBL3064759

Cc1cc(-c2ccc(S(=O)(=O)[C@@H]3C[C@@H](C(=O)O)N(C(=O)C4(C(F)(F)F)CC4)C3)c(C(F)(F)F)c2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.58

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
SCHEMBL3055512 0.91 CTSS (0.48) CTSS
SCHEMBL696281 0.90 CTSS (0.57) CTSS
SCHEMBL696843 0.87 CTSS (0.78) CTSS
SCHEMBL19283759 0.85 CTSS (0.78) CTSS
SCHEMBL695150 0.85 CTSS (0.77) CTSS
SCHEMBL20584794 0.84 CTSS (0.78) CTSS
SCHEMBL21803847 0.83 CTSS (0.57) CTSS
SCHEMBL21803852 0.83 CTSS (0.57) CTSS
SCHEMBL19283770 0.83 CTSS (0.78) CTSS
SCHEMBL19283896 0.83 CTSS (0.55) 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 10 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-2776392-B1 PROCESS FOR THE PREPARATION OF 1-ACYL-4-PHENYLSULFONYLPROLINAMIDE DERIVATIVES AND NEW INTERMEDIATES HOFFMANN LA ROCHE (CH) 2016-05-18 EP disclosed
EP-2776392-A1 PROCESS FOR THE PREPARATION OF 1-ACYL-4-PHENYLSULFONYLPROLINAMIDE DERIVATIVES AND NEW INTERMEDIATES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-17 EP disclosed
US-8796471-B2 Process for the preparation of proline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-05 US disclosed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-20130123512-A1 PROCESS FOR THE PREPARATION OF PROLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-16 US disclosed
WO-2013068434-A1 PROCESS FOR THE PREPARATION OF 1-ACYL-4-PHENYLSULFONYLPROLINAMIDE DERIVATIVES AND NEW INTERMEDIATES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-16 WO 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 (2 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-20130123512-A1 PROCESS FOR THE PREPARATION OF PROLINE DERIVATIVES CTSS, CTSV, CTSZ CTSS 1/4885
US-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 CTSS 1542/4885

“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.