SCHEMBL6743322

SCHEMBL6743322

O=C(O)[C@H](CS(=O)(=O)Cc1ccccc1OC(F)F)NC(=O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.46
CTSB P07858 3/20 0.42
CTSL P07711 3/20 0.42
KMT2A Q03164 1/20 0.41
CTSK P43235 2/20 0.41
CTSH P09668 1/20 0.41
CTSC P53634 1/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL5436195 1.00 CTSS (0.46) CTSSCTSBCTSLKMT2ACTSK
SCHEMBL1557679 0.88 CTSS (0.50) CTSSCTSBCTSL
SCHEMBL1987948 0.88 CTSS (0.50) CTSSCTSBCTSL
SCHEMBL6740163 0.85 CTSS (0.42) CTSSCTSBCTSLKMT2A
SCHEMBL6847007 0.84 CTSS (0.43) CTSSCTSBCTSLKMT2ACTSK
SCHEMBL6063311 0.84 CTSS (0.49) CTSSCTSBCTSLCTSK
SCHEMBL6063309 0.84 CTSS (0.49) CTSSCTSBCTSLCTSK
SCHEMBL5471908 0.84 CTSS (0.41) CTSSCTSBCTSLCTSKCTSH
SCHEMBL6847044 0.84 CTSS (0.46) CTSSCTSBCTSLKMT2ACTSK
SCHEMBL6739784 0.83 CTSS (0.46) CTSSCTSBCTSLCTSK

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
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US disclosed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 US disclosed
EP-1212302-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-06-12 EP disclosed
WO-2001019808-A1 CHEMICAL COMPOUNDS AND COMPOSITIONS AND THEIR USE AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO disclosed
WO-2001019796-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO 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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE CTSS 1/4885CTSB 2/4885CTSL 10/4885

“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.