SCHEMBL696610

SCHEMBL696610

CC(C)(C)OC(=O)N1CCC(N2CC(S(=O)(=O)c3ccccc3C(F)(F)F)CC2C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STS P08842 3/20 0.48
SFRP1 Q8N474 7/20 0.47
CTSS P25774 4/20 0.46
WNT3 P56703 3/20 0.42
GPR119 Q8TDV5 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
EPHX2 P34913 1/20 0.41
TACR1 P25103 1/20 0.41

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
SCHEMBL696245 0.89 CTSS (0.46) STSSFRP1CTSSEPHX2
SCHEMBL695840 0.86 CTSS (0.44) STSSFRP1CTSSGPR119
SCHEMBL2106121 0.85 CTSS (0.58) CTSS
SCHEMBL701925 0.83 CTSS (0.52) SFRP1CTSSWNT3
SCHEMBL695763 0.82 CTSS (0.51) CTSS
SCHEMBL702488 0.75 CTSS (0.45) SFRP1CTSSWNT3
SCHEMBL3060642 0.74 CTSS (0.55) CTSS
SCHEMBL3721404 0.74 CTSS (0.55) CTSS
SCHEMBL15327429 0.74 CTSS (0.54) CTSS
SCHEMBL702381 0.73 CTSS (0.45) 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 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 (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 STS 3455/4885SFRP1 4109/4885CTSS 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.