SCHEMBL8334686

SCHEMBL8334686

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

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 7/20 0.71
MMP8 P22894 2/20 0.71
MMP13 P45452 2/20 0.71
MMP2 P08253 1/20 0.71
PKM P14618 3/20 0.64
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
GAA P10253 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 2/20 0.54
YAP1 P46937 1/20 0.53
TEAD4 Q15561 1/20 0.53
TEAD2 Q15562 1/20 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
SCHEMBL12730849 1.00 ADAM17 (0.71) ADAM17MMP8MMP13MMP2PKM
SCHEMBL12730569 1.00 ADAM17 (0.71) ADAM17MMP8MMP13MMP2PKM
SCHEMBL8324207 0.90 GAA (0.68) ADAM17MMP8MMP13MMP2PKM
SCHEMBL19214946 0.86 KMT2A (0.68) ADAM17MMP8MMP13MMP2PKM
SCHEMBL8207825 0.86 ADAM17 (0.67) ADAM17MMP8MMP13MMP2PKM
SCHEMBL6323346 0.86 ADAM17 (0.67) ADAM17MMP8MMP13MMP2PKM
SCHEMBL12730547 0.85 KMT2A (0.64) ADAM17MMP8MMP13MMP2PKM
SCHEMBL8329165 0.83 ADAM17 (1.00) ADAM17MMP8MMP13MMP2
SCHEMBL12730568 0.83 ADAM17 (0.52) ADAM17MMP8MMP13MMP2PKM
SCHEMBL12708189 0.83 ADAM17 (1.00) ADAM17MMP8MMP13MMP2

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 4 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
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 2/4885MMP8 44/4885MMP13 84/4885

“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.