SCHEMBL7578043

SCHEMBL7578043

CCOC(=O)C1CC(S(=O)(=O)c2ccc(OC)cc2)CCN1Cc1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.54
KCNH2 Q12809 3/20 0.51
MMP1 P03956 7/20 0.50
MMP9 P14780 7/20 0.50
MMP13 P45452 7/20 0.50
ADAM17 P78536 4/20 0.50
LTA4H P09960 2/20 0.47
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL7504704 0.94 HRH3 (0.56) HRH3KCNH2MMP1MMP9MMP13
SCHEMBL7509731 0.90 MMP13 (0.47) HRH3KCNH2MMP1MMP9MMP13
SCHEMBL7621990 0.88 MMP13 (0.57) HRH3MMP1MMP9MMP13ADAM17
SCHEMBL7570327 0.85 MMP1 (0.53) HRH3MMP1MMP9MMP13ADAM17
SCHEMBL7552262 0.85 ALDH1A1 (0.46) MMP1MMP9MMP13ADAM17KDM4E
SCHEMBL7559733 0.85 ALDH1A1 (0.46) MMP1MMP9MMP13ADAM17KDM4E
SCHEMBL7515093 0.84 KCNH2 (0.46) HRH3KCNH2KDM4EALDH1A1
SCHEMBL6934597 0.84 ADAM17 (0.50) MMP1MMP9MMP13ADAM17ALDH1A1
Hydroxyamine SCHEMBL7661687 0.84 MMP1 (0.51) HRH3KCNH2MMP1MMP9MMP13
SCHEMBL7505846 0.83 ALDH1A1 (0.49) HRH3MMP1MMP13KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020006922-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors AMERICAN CYANAMID COMPANY (US) 2002-01-17 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-20020006922-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors MMP12, ADAM33, MMP2 HRH3 1187/4885KCNH2 3171/4885MMP1 7/4885

“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.