SCHEMBL1655876

SCHEMBL1655876

Cc1cc(S(=O)(=O)NC(C(=O)OC(C)(C)C)C(C)C)ccc1-c1ccc(C(=O)Nc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.52
MMP9 P14780 4/20 0.52
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ADAMTS4 O75173 6/20 0.46
MMP14 P50281 2/20 0.45
MMP13 P45452 6/20 0.44
ALDH1A1 P00352 1/20 0.43
MMP7 P09237 1/20 0.43
MMP12 P39900 1/20 0.43

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
SCHEMBL1658632 0.88 MMP2 (0.67) MMP2MMP9ADAMTS4MMP14MMP13
SCHEMBL7674644 0.84 MMP2 (0.73) MMP2MMP9HDAC8HDAC6ADAMTS4
SCHEMBL7665919 0.84 MMP2 (0.73) MMP2MMP9HDAC8HDAC6ADAMTS4
SCHEMBL7667739 0.81 MMP9 (0.59) MMP2MMP9ADAMTS4MMP13ALDH1A1
SCHEMBL7671437 0.81 MMP9 (0.59) MMP2MMP9ADAMTS4MMP13ALDH1A1
SCHEMBL7935790 0.77 MMP2 (0.69) MMP2MMP9ADAMTS4MMP14MMP13
SCHEMBL1658536 0.76 ADAMTS4 (0.77) MMP2MMP9ADAMTS4MMP13MMP7
SCHEMBL3924158 0.75 ADAMTS4 (0.57) MMP2MMP9ADAMTS4MMP14MMP13
SCHEMBL1655874 0.75 ADAMTS4 (0.57) MMP2MMP9ADAMTS4MMP14MMP13
SCHEMBL14419201 0.74 MMP9 (0.56) MMP2MMP9ADAMTS4MMP13MMP7

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-7923446-B2 3-Methyl-2-[4'-(pyridin-3-ylmethoxymethyl)-biphenyl-4-sulfonylamino]-butyric acid; metalloproteinase inhibitors; arthritis, macular degeneration, graft versus host disease, cancer, osteoarthritis WYETH LLC (US) 2011-04-12 US disclosed
EP-1689380-A4 METHOD FOR TREATING ADAMTS-5-ASSOCIATED DISEASE WYETH CORP (US) 2009-03-18 EP disclosed
US-20080311113-A1 METHOD FOR TREATING ADAMTS-5-ASSOCIATED DISEASE WYETH (US) 2008-12-18 US disclosed
US-7390833-B2 Method for treating ADAMTS-5-associated disease WYETH (US) 2008-06-24 US disclosed
US-20070225327-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2007-09-27 US disclosed
US-7268135-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2007-09-11 US disclosed
EP-1689380-A2 METHOD FOR TREATING ADAMTS-5-ASSOCIATED DISEASE Wyeth (US) 2006-08-16 EP disclosed
EP-1689716-A1 BIARYL SULFONAMIDES AND METHODS FOR USING SAME Wyeth (US) 2006-08-16 EP disclosed
US-20060004066-A1 Method for treating ADAMTS-5-associated disease WYETH (US) 2006-01-05 US disclosed
WO-2005060456-A2 METHOD FOR TREATING ADAMTS-5-ASSOCIATE DISEASE WYETH (US) 2005-07-07 WO disclosed
WO-2005061459-A1 BIARYL SULFONAMIDES AND METHODS FOR USING SAME WYETH (US) 2005-07-07 WO disclosed
US-20050130973-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-16 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 (4 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-20050130973-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC MMP2 5/4885MMP9 14/4885HDAC8 220/4885
US-20060004066-A1 Method for treating ADAMTS-5-associated disease ADAMTS5, ADAMTS1, ADAMTS4 MMP2 119/4885MMP9 87/4885HDAC8 798/4885
US-20080311113-A1 METHOD FOR TREATING ADAMTS-5-ASSOCIATED DISEASE ADAMTS5, ADAMTS1, ADAMTS4 MMP2 119/4885MMP9 87/4885HDAC8 798/4885
US-20070225327-A1 Biaryl Sulfonamides and Methods for Using Same STS, MMP3, AADAC MMP2 5/4885MMP9 14/4885HDAC8 220/4885

“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.