SCHEMBL694677

SCHEMBL694677

COC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CN1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.47
EPHX2 P34913 1/20 0.38
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
HSD11B1 P28845 7/20 0.35
ELOVL6 Q9H5J4 1/20 0.34
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.33
CACNA1B Q00975 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
SMO Q99835 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
RBP4 P02753 1/20 0.32

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
SCHEMBL696823 0.88 CTSS (0.46) CTSSCTSLCTSBCTSKELOVL6
SCHEMBL3077827 0.88 CTSS (0.48) CTSSEPHX2CTSLCTSBCTSK
SCHEMBL696922 0.85 CTSS (0.62) CTSSELOVL6RBP4
SCHEMBL2683704 0.85 CTSS (0.62) CTSSELOVL6RBP4
SCHEMBL696227 0.85 CTSS (0.44) CTSSEPHX2CTSLCTSBCTSK
SCHEMBL695605 0.84 CTSS (0.37) CTSSEPHX2CTSLCTSBCTSK
SCHEMBL695795 0.78 CTSS (0.78) CTSS
SCHEMBL3055725 0.75 CTSS (0.48) CTSSCTSLCTSBCTSKHSD11B1
SCHEMBL696915 0.74 CTSS (0.56) CTSSCTSLCTSBCTSKRBP4
SCHEMBL696286 0.74 CTSS (0.56) CTSSCTSLCTSBCTSKRBP4

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 1542/4885EPHX2 3791/4885CTSL 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.