SCHEMBL8033898

SCHEMBL8033898

CC(=O)OC#CCOc1ccc(S(=O)(=O)N2CCSC(C)(C)[C@@H]2C(=O)NO)cc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 20/20 0.80
MMP13 P45452 19/20 0.80
ADAM17 P78536 18/20 0.80
MMP9 P14780 5/20 0.80
MMP2 P08253 3/20 0.80
MMP3 P08254 4/20 0.79
ADAM10 O14672 2/20 0.79
ADAM9 Q13443 2/20 0.79
MMP7 P09237 2/20 0.67
MMP8 P22894 2/20 0.67

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
SCHEMBL3947996 0.90 MMP1 (0.83) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL2358255 0.89 ADAM17 (1.00) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL3942486 0.89 ADAM17 (1.00) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL8051411 0.89 MMP1 (0.86) MMP1MMP13ADAM17MMP9MMP2
Apratastat SCHEMBL3946334 0.88 MMP1 (1.00) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL7325140 0.88 MMP1 (0.86) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL3941871 0.88 MMP1 (0.86) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL7325752 0.88 MMP1 (0.86) MMP1MMP13ADAM17MMP9MMP2
Apratastat SCHEMBL2834310 0.88 MMP1 (1.00) MMP1MMP13ADAM17MMP9MMP2
SCHEMBL7317154 0.88 MMP1 (0.80) MMP1MMP13ADAM17MMP9MMP2

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-20050272725-A1 Enzymatic process for deacetylation of a phenoxy-alkynyl acetate to the corresponding alcohol WYETH (US) 2005-12-08 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-20050272725-A1 Enzymatic process for deacetylation of a phenoxy-alkynyl acetate to the corresponding alcohol ADH1C, ADH5, ADH1A MMP1 823/4885MMP13 668/4885ADAM17 1838/4885

“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.