SCHEMBL7555596

SCHEMBL7555596

COc1ccc(CCN2CCC(S(=O)(=O)c3ccc(OC)cc3)CC2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.47
HRH3 Q9Y5N1 2/20 0.46
MMP1 P03956 3/20 0.46
MMP8 P22894 2/20 0.46
SIGMAR1 Q99720 1/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP9 P14780 2/20 0.44
ADAM17 P78536 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MMP12 P39900 1/20 0.43
FKBP1A P62942 1/20 0.43
ELOVL6 Q9H5J4 1/20 0.42

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
SCHEMBL7510199 0.91 KCNH2 (0.51) MMP13MMP1SIGMAR1MEN1KMT2A
SCHEMBL7529490 0.89 MMP13 (0.55) MMP13MMP1MMP8NPC1MMP9
SCHEMBL7553070 0.88 MMP13 (0.46) MMP13MMP1MMP8MEN1KMT2A
SCHEMBL7505846 0.88 ALDH1A1 (0.49) MMP13HRH3MMP1MMP8KMT2A
SCHEMBL7548378 0.86 MMP13 (0.46) MMP13MMP1MMP8MEN1KMT2A
SCHEMBL7555707 0.86 ALDH1A1 (0.50) MMP13MMP1MMP8SIGMAR1MEN1
Hydroxyamine SCHEMBL7551188 0.86 MMP13 (0.48) MMP13MMP1MMP8MEN1KMT2A
SCHEMBL7956364 0.85 DRD3 (0.48) MMP13MMP1MMP8MMP9ADAM17
SCHEMBL7555081 0.85 MMP13 (0.47) MMP13MMP1MMP8MMP9ADAM17
SCHEMBL7572878 0.85 ALDH1A1 (0.47) MMP13MMP1MMP8MEN1KMT2A

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 MMP13 15/4885HRH3 1187/4885MMP1 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.