SCHEMBL6843005

SCHEMBL6843005

O=C(CNC(=O)C(CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1)CNS(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.53
CTSB P07858 4/20 0.46
CTSL P07711 4/20 0.46
CTSK P43235 2/20 0.44
CTSH P09668 1/20 0.44
CTSC P53634 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TACR2 P21452 2/20 0.41
ADAM33 Q9BZ11 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 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
SCHEMBL14491115 1.00 CTSS (0.53) CTSSCTSBCTSLCTSKCTSH
SCHEMBL5418253 0.84 SMN1; SMN2 (0.46) CTSSCTSLSMN1; SMN2ADAM33ALDH1A1
SCHEMBL14491117 0.82 CTSS (0.53) CTSSCTSBCTSLCTSKCTSH
SCHEMBL5443847 0.82 CTSS (0.53) CTSSCTSBCTSLCTSKCTSH
SCHEMBL5438934 0.80 CTSS (0.57) CTSSCTSBCTSLCTSKCTSH
SCHEMBL3023908 0.80 CTSS (0.57) CTSSCTSBCTSLCTSKCTSH
SCHEMBL3023913 0.80 CTSS (0.57) CTSSCTSBCTSLCTSKCTSH
SCHEMBL7159413 0.78 CTSS (0.57) CTSSCTSBCTSLCTSKCTSH
SCHEMBL6064459 0.78 CTSS (0.57) CTSSCTSBCTSLCTSKCTSH
SCHEMBL6848124 0.77 CTSS (0.55) CTSSCTSBCTSLCTSKCTSH

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-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. 2004-09-30 US claimed
US-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. 2004-09-30 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-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSS 1/4885CTSB 2/4885CTSL 11/4885

“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.