SCHEMBL695422

SCHEMBL695422

N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3OC(F)(F)F)CN2)CC1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.75
CTSC P53634 2/20 0.47
CTSL P07711 4/20 0.45
CTSB P07858 3/20 0.45

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
Hydrochloric Acid SCHEMBL695411 0.99 CTSS (0.74) CTSSCTSCCTSLCTSB
SCHEMBL15194059 0.88 CTSS (0.70) CTSSCTSCCTSLCTSB
SCHEMBL696004 0.86 CTSS (1.00) CTSSCTSCCTSLCTSB
SCHEMBL695956 0.86 CTSS (1.00) CTSSCTSCCTSLCTSB
Hydrochloric Acid SCHEMBL695373 0.85 CTSS (0.98) CTSSCTSCCTSLCTSB
SCHEMBL697326 0.83 CTSS (0.64) CTSSCTSCCTSLCTSB
SCHEMBL697725 0.82 CTSS (0.74) CTSSCTSLCTSB
Hydrochloric Acid SCHEMBL694102 0.82 CTSS (0.72) CTSSCTSLCTSB
Trifluoroacetic Acid SCHEMBL694517 0.81 CTSS (0.71) CTSSCTSCCTSLCTSB
SCHEMBL697094 0.81 CTSS (0.71) CTSSCTSCCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US claimed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP claimed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO claimed
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
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
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US 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
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 2804/4885CTSC 2623/4885CTSL 1396/4885
US-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 CTSS 1542/4885CTSC 606/4885CTSL 178/4885

“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.