SCHEMBL3598466

SCHEMBL3598466

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 10/20 0.45
MMP2 P08253 9/20 0.45
MMP3 P08254 9/20 0.45
MMP13 P45452 9/20 0.45
MMP1 P03956 8/20 0.45
MMP7 P09237 8/20 0.45
MMP8 P22894 1/20 0.45
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA9 Q16790 6/20 0.45
CA12 O43570 2/20 0.43
CA14 Q9ULX7 2/20 0.43
ADAMTS4 O75173 2/20 0.43
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
MMP14 P50281 1/20 0.41

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
SCHEMBL3604512 0.87 CA1 (0.40) MMP9MMP2MMP3MMP13MMP1
SCHEMBL3081124 0.85 MMP12 (0.53) MMP9MMP2MMP3MMP13MMP14
SCHEMBL3081127 0.85 MMP12 (0.53) MMP9MMP2MMP3MMP13MMP14
SCHEMBL3086347 0.84 MMP12 (0.52) MMP13
SCHEMBL3086349 0.84 MMP12 (0.52) MMP13
SCHEMBL3081236 0.83 MMP12 (0.55) MMP9MMP2MMP3MMP13MMP14
SCHEMBL3081234 0.83 MMP12 (0.55) MMP9MMP2MMP3MMP13MMP14
SCHEMBL3071831 0.82 MMP12 (0.54) MMP13
SCHEMBL3071828 0.82 MMP12 (0.54) MMP13
SCHEMBL2561113 0.77 CA2 (0.47) CA1CA2CA9CA12CA14

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 12 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
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 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
US-6593335-B1 Disease than can be ameliorated with a potassium channel opener in a host mammal, comprising administering to the mammal in need thereof a therapeutically effective amount of the compound of claim 1; said disease is epilepsy, Raynaud's ABBOTT LABORATORIES 2003-07-15 US disclosed
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP disclosed
US-6265606-B1 TO CONTROL A BROAD SPECTRUM OF UNDESIRABLE VEGETATION, ARE SELECTIVE TO MAJOR CROPS, HAVE DESIRABLE ENVIRONMENTAL PROFILES, DOW AGROSCIENCES LLC 2001-07-24 US disclosed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO disclosed
US-6010981-A 1-alkyl-4-benzoyl-5-hydroxypyrazole compounds and their use as herbicides DOW AGROSCIENCES LLC (US) 2000-01-04 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 (3 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 MMP9 14/4885MMP2 5/4885MMP3 2/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC MMP9 14/4885MMP2 5/4885MMP3 2/4885
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS ABCB1, CYP3A5, CYP3A4 MMP9 4598/4885MMP2 4723/4885MMP3 4827/4885

“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.