SCHEMBL6838293

SCHEMBL6838293

CC#CCOc1ccc(S(=O)(=O)C(N)(C(=O)O)c2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.49
KCNH2 Q12809 3/20 0.48
MMP1 P03956 4/20 0.47
MMP9 P14780 4/20 0.47
MMP13 P45452 4/20 0.47
PSMB1 P20618 3/20 0.47
PSMB5 P28074 3/20 0.47
PSMB2 P49721 3/20 0.47
KDM4E B2RXH2 2/20 0.46
LTA4H P09960 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL6658476 0.82 MMP1 (0.65) HRH3KCNH2MMP1MMP9MMP13
SCHEMBL6756509 0.81 MMP1 (0.52) HRH3KCNH2MMP1MMP9MMP13
SCHEMBL2897169 0.77 PSMB1 (0.60) HRH3PSMB1PSMB5PSMB2KDM4E
SCHEMBL6657950 0.76 MMP13 (0.80) MMP1MMP9MMP13
SCHEMBL6659751 0.76 MMP13 (0.63) HRH3KCNH2MMP1MMP9MMP13
SCHEMBL6499387 0.75 ADAM17 (0.59) HRH3KCNH2MMP1MMP9MMP13
SCHEMBL7236556 0.75 HRH3 (0.51) HRH3KCNH2MMP1MMP9MMP13
SCHEMBL6655636 0.73 HRH3 (0.47) HRH3KCNH2MMP1MMP9MMP13
SCHEMBL7258553 0.73 KDM4E (0.47) HRH3MMP1MMP9MMP13KDM4E
SCHEMBL6265536 0.72 ADAM17 (0.67) MMP1MMP9MMP13

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-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2004-02-19 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-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 HRH3 1098/4885KCNH2 4863/4885MMP1 130/4885

“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.