SCHEMBL6858878

SCHEMBL6858878

N#CN1CC(CNS(=O)(=O)c2ccc3ccccc3c2)C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.72
CTSB P07858 2/20 0.72
CTSK P43235 2/20 0.72
BCHE P06276 2/20 0.58
MAOB P27338 1/20 0.58
NPY5R Q15761 4/20 0.56
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
LMNA P02545 2/20 0.52
NPY1R P25929 1/20 0.52
CYP19A1 P11511 1/20 0.51

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
SCHEMBL6858391 0.84 CTSK (1.00) CTSLCTSBCTSKALDH1A1CTSS
SCHEMBL23052424 0.80 NPY5R (0.69) BCHEMAOBNPY5RHDAC3HDAC4
SCHEMBL6858424 0.80 CTSL (0.65) CTSLCTSBCTSKBCHELMNA
SCHEMBL4393015 0.75 NPY5R (0.70) BCHEMAOBNPY5RHDAC3HDAC4
SCHEMBL932265 0.75 NPY5R (0.66) BCHEMAOBNPY5RHDAC3HDAC4
SCHEMBL13768018 0.75 NPY5R (0.73) BCHEMAOBNPY5RHDAC3HDAC4
SCHEMBL4393007 0.75 NPY5R (0.70) BCHEMAOBNPY5RHDAC3HDAC4
SCHEMBL6856492 0.74 CTSK (1.00) CTSLCTSBCTSKALDH1A1CTSS
SCHEMBL13644753 0.74 USP30 (0.73) CTSLCTSBCTSKALDH1A1CTSS
SCHEMBL7995936 0.74 USP30 (0.73) CTSLCTSBCTSKALDH1A1CTSS

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-6835727-B2 Bone disorders; osteoporosis; rheumatic diseases MERCK FROSST CANADA & CO. (CA) 2004-12-28 US claimed
US-20030229226-A1 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA LTD. (CA) 2003-12-11 US claimed

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-20030229226-A1 Cathepsin cysteine protease inhibitors CTSK, CTSZ, CTSE CTSL 10/4885CTSB 5/4885CTSK 1/4885

“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.