SCHEMBL7621990

SCHEMBL7621990

COc1ccc(S(=O)(=O)C2CCN(Cc3ccc(OCCN4CCCCC4)cc3)C(C(=O)NO)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 15/20 0.57
MMP1 P03956 14/20 0.57
MMP9 P14780 12/20 0.57
ADAM17 P78536 5/20 0.57
MMP3 P08254 3/20 0.48
MMP7 P09237 3/20 0.48
HRH3 Q9Y5N1 4/20 0.45
LTA4H P09960 1/20 0.45
MMP2 P08253 1/20 0.44
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 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
SCHEMBL7578043 0.88 HRH3 (0.54) MMP13MMP1MMP9ADAM17HRH3
SCHEMBL7512979 0.87 MMP1 (0.57) MMP13MMP1MMP9ADAM17MMP3
SCHEMBL7505164 0.84 MMP1 (0.58) MMP13MMP1MMP9ADAM17MMP3
SCHEMBL7570327 0.84 MMP1 (0.53) MMP13MMP1MMP9ADAM17HRH3
Hydroxyamine SCHEMBL7661687 0.83 MMP1 (0.51) MMP13MMP1MMP9ADAM17HRH3
SCHEMBL7529490 0.82 MMP13 (0.55) MMP13MMP1MMP9ADAM17MMP3
SCHEMBL7504704 0.82 HRH3 (0.56) MMP13MMP1MMP9ADAM17HRH3
SCHEMBL7509176 0.81 MMP1 (0.51) MMP13MMP1MMP9ADAM17MMP3
SCHEMBL7618861 0.80 MMP1 (0.54) MMP13MMP1MMP9ADAM17MMP3
Hydroxyamine SCHEMBL7459041 0.79 HRH3 (0.52) MMP13MMP1MMP9ADAM17HRH3

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-20020032186-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) 2002-03-14 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-20020032186-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 MMP13 27/4885MMP1 4/4885MMP9 13/4885

“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.