SCHEMBL6858259

SCHEMBL6858259

CC#CCOc1ccc(SCC2CC(C(=O)NO)CCO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 20/20 0.47
▸ MMP13 P45452 12/20 0.47
▸ MMP9 P14780 6/20 0.47
▸ MMP1 P03956 10/20 0.46

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
SCHEMBL6708418 0.77 ADAM17 (0.59) ADAM17MMP13MMP9MMP1
SCHEMBL8424025 0.70 ALDH1A1 (0.42) —
SCHEMBL8424066 0.69 HPGD (0.43) ADAM17MMP1
SCHEMBL6753835 0.69 ADAM17 (0.61) ADAM17MMP13MMP9MMP1
SCHEMBL8424170 0.68 ALDH1A1 (0.49) —
SCHEMBL8425464 0.68 S1PR5 (0.44) —
SCHEMBL8423721 0.68 ALDH1A1 (0.39) —
SCHEMBL3941951 0.67 ADAM17 (0.54) ADAM17MMP13MMP9MMP1
SCHEMBL6268743 0.67 ADAM17 (0.49) ADAM17MMP13MMP9MMP1
SCHEMBL8423588 0.66 ALDH1A1 (0.43) —

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 16/4885MMP9 3/4885

“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.

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