SCHEMBL8329165

SCHEMBL8329165

CC#CCOc1ccc(S(=O)(=O)N2CCC(S)C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 1.00
MMP13 P45452 10/20 1.00
MMP8 P22894 2/20 1.00
MMP2 P08253 1/20 1.00
MMP1 P03956 6/20 0.53
MMP9 P14780 3/20 0.53

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
SCHEMBL12708189 1.00 ADAM17 (1.00) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL8334970 1.00 ADAM17 (1.00) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL8334839 0.91 ADAM17 (1.00) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL12708284 0.88 ADAM17 (0.79) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL8334567 0.87 ADAM17 (0.77) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL12708171 0.85 ADAM17 (0.74) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL8330234 0.85 ADAM17 (0.74) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL12708193 0.85 ADAM17 (0.73) ADAM17MMP13MMP8MMP2
SCHEMBL12708201 0.83 ADAM17 (1.00) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL12730569 0.83 ADAM17 (0.71) 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.