SCHEMBL6858424

SCHEMBL6858424

N#CN1CC(CNS(=O)(=O)c2ccc3oc4ccccc4c3c2)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.65
CTSK P43235 4/20 0.65
CTSB P07858 3/20 0.65
HSD11B1 P28845 1/20 0.48
HTT P42858 6/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 5/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
USP2 O75604 2/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL6858450 0.84 UCHL1 (0.50) CTSLCTSKCTSBHSD11B1HTT
SCHEMBL6859830 0.81 CTSL (0.67) CTSLCTSKCTSBHSD11B1HTT
SCHEMBL6858878 0.80 CTSL (0.72) CTSLCTSKCTSBALDH1A1LMNA
SCHEMBL6858391 0.79 CTSK (1.00) CTSLCTSKCTSBALDH1A1MEN1
SCHEMBL15792834 0.73 HTT (0.53) HSD11B1HTTALDH1A1HPGDCYP1A2
SCHEMBL15792835 0.73 HTT (0.53) HSD11B1HTTALDH1A1HPGDCYP1A2
SCHEMBL6856492 0.72 CTSK (1.00) CTSLCTSKCTSBALDH1A1
SCHEMBL6340411 0.71 MMP12 (0.59) HSD11B1HTTALDH1A1HPGDCYP1A2
SCHEMBL23613809 0.70 MMP12 (0.60) HSD11B1HTTALDH1A1HPGDCYP1A2
SCHEMBL15896281 0.70 MMP12 (0.60) HSD11B1HTTALDH1A1HPGDCYP1A2

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 10/4885CTSK 1/4885CTSB 5/4885

“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.