SCHEMBL6743166

SCHEMBL6743166

N#CCNC(=O)C(CNC(=O)N1CCOCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6740690 0.86 CTSS (0.45) CTSSCTSLCTSBCTSKGAA
SCHEMBL6744961 0.85 CTSS (0.48) CTSSCTSLCTSBCTSK
SCHEMBL5534198 0.83 CTSS (0.42) CTSSCTSLCTSBCTSKMEN1
SCHEMBL6743160 0.83 CTSS (0.51) CTSSCTSLCTSB
SCHEMBL6743156 0.83 CTSS (0.51) CTSSCTSLCTSB
SCHEMBL6740847 0.82 ADRB1 (0.41) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL6737541 0.81 CTSL (0.43) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL6464319 0.78 SMN1; SMN2 (0.37) CTSSCTSLCTSKMEN1KMT2A
SCHEMBL6467525 0.77 CTSS (0.35) CTSSCTSLCTSKMEN1KMT2A
SCHEMBL5534193 0.77 CTSS (0.52) 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 2 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

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 1/4885CTSL 10/4885CTSB 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.