SCHEMBL6864517

SCHEMBL6864517

O=C(O)C1CC(S(=O)(=O)c2ccc(OCC#CCN3CCCCC3)cc2)CCN1Cc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
ADAM17 P78536 11/20 0.47
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH3 Q9Y5N1 2/20 0.43
MMP1 P03956 4/20 0.41
MMP13 P45452 4/20 0.41
MMP9 P14780 2/20 0.41
POLB P06746 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL6757111 0.87 KDM4E (0.47) KDM4EALDH1A1ADAM17PKMKMT2A
Hydroxyamine SCHEMBL6858264 0.85 ADAM17 (0.50) ADAM17HRH3MMP1MMP13MMP9
SCHEMBL7555081 0.81 MMP13 (0.47) KDM4EALDH1A1ADAM17MMP1MMP13
Hydroxyamine SCHEMBL7557417 0.79 MMP13 (0.46) KDM4EALDH1A1ADAM17MMP1MMP13
Hydroxyamine SCHEMBL6861859 0.78 ADAM17 (0.52) ADAM17MMP1MMP13MMP9
SCHEMBL7570327 0.78 MMP1 (0.53) KDM4EADAM17HRH3MMP1MMP13
Hydroxyamine SCHEMBL6865551 0.78 ADAM17 (0.56) KDM4EALDH1A1ADAM17MMP1MMP13
Hydroxyamine SCHEMBL7661687 0.77 MMP1 (0.51) KDM4EADAM17HRH3MMP1MMP13
SCHEMBL7518010 0.75 S1PR5 (0.50) ADAM17HRH3MMP1MMP13MMP9
SCHEMBL6865929 0.75 ADAM17 (0.53) ALDH1A1ADAM17MMP1MMP13MMP9

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-20040229924-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/TACE inhibitors WYETH 2004-11-18 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-20040229924-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/TACE inhibitors MMP17, MMP1, MMP9 KDM4E 2567/4885ALDH1A1 1065/4885ADAM17 12/4885

“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.