SCHEMBL696922

SCHEMBL696922

COC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2C(F)(F)F)CN1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.62
ELOVL6 Q9H5J4 1/20 0.40
RBP4 P02753 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SLC22A12 Q96S37 2/20 0.36

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
SCHEMBL2683704 1.00 CTSS (0.62) CTSSELOVL6RBP4KMT2AMEN1
SCHEMBL696286 0.88 CTSS (0.56) CTSSRBP4ALDH1A1
SCHEMBL696915 0.88 CTSS (0.56) CTSSRBP4ALDH1A1
SCHEMBL3067070 0.87 CTSS (0.65) CTSSRBP4KMT2AMEN1ALDH1A1
SCHEMBL3070272 0.87 CTSS (0.65) CTSSRBP4KMT2AMEN1ALDH1A1
SCHEMBL694677 0.85 CTSS (0.47) CTSSELOVL6RBP4
SCHEMBL696823 0.84 CTSS (0.46) CTSSELOVL6
SCHEMBL695848 0.82 CTSS (0.46) CTSSELOVL6ALDH1A1
SCHEMBL2683622 0.82 CTSS (0.46) CTSSELOVL6ALDH1A1
SCHEMBL14973939 0.82 CTSS (0.46) CTSSELOVL6ALDH1A1

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 CTSS 1542/4885ELOVL6 2446/4885RBP4 877/4885

“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.