SCHEMBL695172

SCHEMBL695172

CC(C)(C)OC(=O)N1C[C@H](S(=O)(=O)c2ccccc2Cl)C[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.52
CTSL P07711 9/20 0.50
CTSB P07858 6/20 0.50
CTSK P43235 3/20 0.45
HTRA1 Q92743 1/20 0.43
STS P08842 1/20 0.43

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
SCHEMBL2683603 1.00 CTSS (0.52) CTSSCTSLCTSBCTSKHTRA1
SCHEMBL695436 0.91 CTSS (0.45) CTSSCTSLCTSBCTSKHTRA1
SCHEMBL696152 0.89 CTSS (0.53) CTSSCTSLCTSBCTSKSTS
SCHEMBL2684542 0.89 CTSS (0.53) CTSSCTSLCTSBCTSKSTS
SCHEMBL14974619 0.89 CTSS (0.53) CTSSCTSLCTSBCTSKSTS
SCHEMBL2689966 0.88 CTSS (0.54) CTSSCTSLCTSBCTSKHTRA1
SCHEMBL695734 0.87 NR1H2 (0.44) CTSSCTSLCTSBCTSKHTRA1
SCHEMBL15183967 0.87 CTSS (0.51) CTSSCTSLCTSBCTSK
SCHEMBL15338542 0.86 CTSS (0.50) CTSSCTSLCTSBCTSKSTS
SCHEMBL2683231 0.86 CTSS (0.55) CTSSCTSLCTSBCTSK

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2814822-B1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-04-20 EP disclosed
WO-2013120921-A9 NOVEL PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-10-08 WO disclosed
EP-2814822-A1 NOVEL PYRROLIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-12-24 EP disclosed
US-8802665-B2 Pyrrolidine derivatives GENENTECH, INC. (US) 2014-08-12 US disclosed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-20130217665-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-08-22 US disclosed
WO-2013120921-A1 NOVEL PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-08-22 WO disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 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 (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-20130217665-A1 NOVEL PYRROLIDINE DERIVATIVES PYCR1, ADCYAP1R1, AVPR1A CTSS 2804/4885CTSL 1396/4885CTSB 1721/4885
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.