SCHEMBL6741762

SCHEMBL6741762

CC(C)(C)OC(=O)N(CCS(=O)(=O)Cc1ccccc1)C(=O)NCC#N

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.46
CTSK P43235 12/20 0.46
CTSB P07858 5/20 0.45
CTSL P07711 3/20 0.45
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL5526270 0.84 CTSS (0.57) CTSSCTSKCTSBCTSL
SCHEMBL5525918 0.81 CTSS (0.53) CTSSCTSKCTSBCTSL
SCHEMBL5522233 0.80 CTSS (0.47) CTSSCTSKCTSBCTSL
SCHEMBL5525416 0.76 CTSS (0.48) CTSSCTSKCTSBCTSL
SCHEMBL6183560 0.71 CTSS (0.46) CTSSCTSKCTSBCTSL
SCHEMBL30503476 0.71 CTSK (0.43) CTSSCTSKCA12CA1CA7
SCHEMBL6741759 0.71 CTSS (0.72) CTSSCTSKCTSBCTSL
SCHEMBL5528448 0.70 CTSS (0.43) CTSSCTSKCTSBCTSL
SCHEMBL5523204 0.70 KCNH2 (0.43) CTSSCTSK
SCHEMBL6738204 0.69 KMT2A (0.55) CTSSCTSL

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 4 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-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 1/4885CTSK 9/4885CTSB 2/4885

“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.