SCHEMBL6859830

SCHEMBL6859830

N#CN1CCCC1CNS(=O)(=O)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.67
CTSK P43235 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.48
HSD11B1 P28845 1/20 0.46
HTT P42858 6/20 0.45
CYP2C19 P33261 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
CTSB P07858 3/20 0.45
LMNA P02545 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 1/20 0.45
USP30 Q70CQ3 1/20 0.43
BCHE P06276 1/20 0.43

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
SCHEMBL7011360 0.81 CTSK (1.00) CTSLCTSKALDH1A1CTSBUSP30
SCHEMBL6858424 0.81 CTSL (0.65) CTSLCTSKSMN1; SMN2HSD11B1HTT
SCHEMBL6858450 0.74 UCHL1 (0.50) CTSLCTSKSMN1; SMN2HSD11B1HTT
SCHEMBL6340411 0.68 MMP12 (0.59) SMN1; SMN2HSD11B1HTTCYP2C19ALDH1A1
SCHEMBL15792835 0.68 HTT (0.53) SMN1; SMN2HSD11B1HTTCYP2C19ALDH1A1
SCHEMBL15792834 0.68 HTT (0.53) SMN1; SMN2HSD11B1HTTCYP2C19ALDH1A1
SCHEMBL13482093 0.67 HTT (0.46) SMN1; SMN2HSD11B1HTTCYP2C19ALDH1A1
SCHEMBL13482095 0.67 HTT (0.45) SMN1; SMN2HSD11B1HTTCYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL2314947 0.67 HTT (0.45) SMN1; SMN2HSD11B1HTTCYP2C19ALDH1A1
SCHEMBL23613809 0.67 MMP12 (0.60) SMN1; SMN2HSD11B1HTTCYP2C19ALDH1A1

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 1/4885SMN1; SMN2 4758/4885

“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.