SCHEMBL3604512

SCHEMBL3604512

COC(=O)C(NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(C)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.40
CA2 P00918 9/20 0.40
CA9 Q16790 9/20 0.40
AAK1 Q2M2I8 2/20 0.40
KEAP1 Q14145 1/20 0.39
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
DGAT1 O75907 1/20 0.37
MMP9 P14780 3/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP8 P22894 1/20 0.36

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
SCHEMBL3598466 0.87 MMP9 (0.45) CA1CA2CA9CA12CA3
SCHEMBL3614133 0.79 MMP2 (0.52) CA9KEAP1CA12CA14MMP9
SCHEMBL3608987 0.77 MMP2 (0.58) MMP9MMP1MMP2MMP3MMP7
SCHEMBL3081124 0.76 MMP12 (0.53) MMP9MMP2MMP3MMP13
SCHEMBL3081127 0.76 MMP12 (0.53) MMP9MMP2MMP3MMP13
SCHEMBL3081236 0.73 MMP12 (0.55) MMP9MMP2MMP3MMP13
SCHEMBL3081234 0.73 MMP12 (0.55) MMP9MMP2MMP3MMP13
SCHEMBL3086349 0.73 MMP12 (0.52) MMP13
SCHEMBL3086347 0.73 MMP12 (0.52) MMP13
SCHEMBL2561113 0.72 CA2 (0.47) CA1CA2CA9CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 US disclosed
EP-1692124-B1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH CORP (US) 2008-10-15 EP disclosed
US-7420001-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2008-09-02 US disclosed
EP-1692124-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS Wyeth (US) 2006-08-23 EP disclosed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 WO disclosed
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 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 (2 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-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same STS, MMP3, AADAC CA1 508/4885CA2 306/4885CA9 269/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC CA1 508/4885CA2 306/4885CA9 269/4885

“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.