SCHEMBL694792

SCHEMBL694792

O=C(O)C1CC(S(=O)(=O)c2ccccc2C(F)(F)F)CN1c1cccc(OC(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.54
NOTUM Q6P988 1/20 0.47
SLC22A12 Q96S37 1/20 0.45
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
CHRM4 P08173 2/20 0.40

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
SCHEMBL696749 0.88 CTSS (0.63) CTSSCTSLCTSBCTSK
SCHEMBL696748 0.88 CTSS (0.63) CTSSCTSLCTSBCTSK
SCHEMBL697136 0.87 CTSS (0.45) CTSSSLC22A12CTSLCTSBCTSK
SCHEMBL697253 0.87 CTSS (0.57) CTSSNOTUMCTSLCTSBCTSK
SCHEMBL696340 0.85 CTSS (0.54) CTSS
SCHEMBL3060613 0.85 CTSS (0.54) CTSS
SCHEMBL695563 0.84 CTSS (0.63) CTSSCTSLCTSB
SCHEMBL695454 0.84 CTSS (0.63) CTSSNOTUMSLC22A12
SCHEMBL3725443 0.82 CTSS (0.56) CTSSCTSLCTSBCTSK
SCHEMBL3071486 0.82 CTSS (0.56) CTSSCTSLCTSBCTSK

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 CTSS 1542/4885NOTUM 2571/4885SLC22A12 401/4885

“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.