SCHEMBL7590629

SCHEMBL7590629

CC#CCOc1ccc([C@@H](C(=O)NO)c2cccc(Br)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.55
MMP13 P45452 12/20 0.54
MMP1 P03956 11/20 0.54
MMP9 P14780 11/20 0.54
ADAM10 O14672 1/20 0.47
MMP7 P09237 1/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47

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
SCHEMBL6658091 0.83 ADAM17 (0.78) ADAM17MMP13MMP1MMP9ADAM10
SCHEMBL6656775 0.82 ADAM17 (0.53) ADAM17MMP13MMP1MMP9ADAM10
SCHEMBL6657885 0.82 ADAM17 (0.53) ADAM17MMP13MMP1MMP9ADAM10
SCHEMBL3941005 0.82 ADAM17 (0.79) ADAM17MMP13MMP1MMP9ADAM10
SCHEMBL28783018 0.76 HDAC4 (0.72)
SCHEMBL6654467 0.76 ADAM17 (0.65) ADAM17MMP13MMP1MMP9
SCHEMBL2847556 0.73 HDAC3 (0.58) ADAM17MMP13MMP1MMP9
SCHEMBL6658468 0.73 ADAM17 (0.83) ADAM17MMP13MMP1MMP9ADAM10
SCHEMBL6657197 0.72 ADAM17 (0.84) ADAM17MMP13MMP1MMP9ADAM10
SCHEMBL6661539 0.72 ADAM17 (0.53) ADAM17MMP13MMP1MMP9ADAM10

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-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY (US) 2002-10-10 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-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors MMP12, MMP17, MMP14 ADAM17 7/4885MMP13 12/4885MMP1 17/4885

“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.