SCHEMBL6870501

SCHEMBL6870501

O=C(ONCc1ccc(Br)cc1)C1(S(=O)(=O)c2ccc(OCC#CCN3CCCCC3)cc2)CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 16/20 0.56
MMP13 P45452 10/20 0.51
MMP1 P03956 6/20 0.50
MMP9 P14780 6/20 0.50
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP2 P08253 1/20 0.41

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
SCHEMBL7437127 0.92 ADAM17 (0.67) ADAM17MMP13MMP1MMP9KDM4E
SCHEMBL7427544 0.87 ADAM17 (0.60) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL7421888 0.84 ADAM17 (0.58) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL7423131 0.84 ADAM17 (0.53) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL7428773 0.84 ADAM17 (0.64) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6269908 0.79 ADAM17 (0.84) ADAM17MMP13MMP1MMP9
SCHEMBL6268284 0.78 ADAM17 (0.72) ADAM17MMP13MMP1MMP9KDM4E
SCHEMBL6263503 0.78 ADAM17 (0.67) ADAM17MMP13MMP1MMP9ALDH1A1
SCHEMBL7423765 0.77 ADAM17 (0.67) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL4033569 0.72 ADAM17 (0.82) ADAM17MMP13MMP1MMP9KDM4E

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 ADAM17 12/4885MMP13 16/4885MMP1 2/4885

“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.