SCHEMBL695506

SCHEMBL695506

Cc1cc(N2C[C@H](S(=O)(=O)c3ccccc3)C[C@H]2C(=O)O)n(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 4/20 0.43
CTSS P25774 6/20 0.39
EPHX2 P34913 3/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NOTUM Q6P988 1/20 0.35
GAA P10253 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 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
SCHEMBL2105211 0.91 ELOVL6 (0.41) ELOVL6CTSSEPHX2PTGS1PTGS2
SCHEMBL694697 0.91 ELOVL6 (0.41) ELOVL6CTSSEPHX2PTGS1PTGS2
SCHEMBL696030 0.90 CTSS (0.45) ELOVL6CTSSALDH1A1CTSLCTSB
SCHEMBL3064969 0.90 CTSS (0.51) CTSSCTSLCTSBCTSK
SCHEMBL695239 0.89 NOTUM (0.38) CTSSEPHX2PTGS1PTGS2TSHR
SCHEMBL696229 0.86 CTSS (0.55) CTSSCTSLCTSB
SCHEMBL696805 0.85 CTSS (0.50) CTSSCTSLCTSBCTSK
SCHEMBL15327758 0.84 CRHR1 (0.39) CTSSEPHX2NOTUMCTSLCTSB
SCHEMBL694118 0.84 CRHR1 (0.39) CTSSEPHX2NOTUMCTSLCTSB
SCHEMBL695409 0.84 CTSS (0.54) CTSSALDH1A1CTSLCTSBCTSK

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 7 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-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 ELOVL6 2446/4885CTSS 1542/4885EPHX2 3791/4885

“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.