SCHEMBL8335658

SCHEMBL8335658

CC#CCOc1ccc(S(=O)(=O)N2CC[C@H](SC(C)=O)C2)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.68
MMP13 P45452 15/20 0.68
MMP8 P22894 2/20 0.68
MMP2 P08253 1/20 0.68
MMP1 P03956 10/20 0.52
MMP9 P14780 3/20 0.52

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
SCHEMBL13779537 0.86 KMT2A (0.60)
SCHEMBL8334567 0.82 ADAM17 (0.77) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL8199226 0.82 PKM (0.58) MMP13MMP8MMP2MMP1MMP9
SCHEMBL12708189 0.81 ADAM17 (1.00) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL8334970 0.81 ADAM17 (1.00) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL8329165 0.81 ADAM17 (1.00) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL7313611 0.80 ADAM17 (0.65) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL12730546 0.78 EPHX2 (0.46)
SCHEMBL8334839 0.77 ADAM17 (1.00) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL21067889 0.76 ADAM17 (0.73) ADAM17MMP13MMP8MMP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919520-B2 Inhibitors of tace VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-05 US disclosed
EP-1581488-B1 INHIBITORS OF TACE VERTEX PHARMA (US) 2009-09-16 EP disclosed
US-20090176782-A1 INHIBITORS OF TACE VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-7485664-B2 Inhibitors of TACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-03 US disclosed
WO-2004056766-A1 INHIBITORS OF TACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-07-08 WO 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-20090176782-A1 INHIBITORS OF TACE HDGF, ADAM17, PCSK9 ADAM17 2/4885MMP13 84/4885MMP8 44/4885

“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.