SCHEMBL1658546

SCHEMBL1658546

CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(OC(=O)c3cc4ccccc4o3)cc2)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 15/20 1.00
MMP2 P08253 5/20 0.73
MMP13 P45452 4/20 0.73
MMP14 P50281 3/20 0.73
MMP7 P09237 1/20 0.73
MMP12 P39900 1/20 0.73

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
SCHEMBL12247612 1.00 ADAMTS4 (1.00) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL12684680 1.00 ADAMTS4 (1.00) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL20124798 0.92 ADAMTS4 (0.86) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL3608574 0.89 ADAMTS4 (0.80) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL13314510 0.89 ADAMTS4 (0.80) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL1655209 0.88 ADAMTS4 (0.78) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL1658625 0.87 ADAMTS4 (0.76) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL12684636 0.85 ADAMTS4 (0.73) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL1656904 0.84 ADAMTS4 (1.00) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL3618624 0.84 MMP2 (1.00) ADAMTS4MMP2MMP13MMP14MMP7

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692124-B1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH CORP (US) 2008-10-15 EP claimed
US-7420001-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2008-09-02 US claimed
EP-1692124-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS Wyeth (US) 2006-08-23 EP claimed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 WO claimed
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 US claimed
EP-2681209-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISORDERS AQUILUS PHARMACEUTICALS INC (US) 2018-05-09 EP disclosed
EP-2681209-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISORDERS AQUILUS PHARMACEUTICALS INC (US) 2018-05-09 EP disclosed
EP-2681209-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISORDERS Aquilus Pharmaceuticals, Inc (US) 2014-01-08 EP disclosed
US-20130338116-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES SUCHOLEIKI IRVING (US) 2013-12-19 US disclosed
US-8530453-B2 Compounds and methods for the treatment of pain and other diseases AQUILUS PHARMACEUTICALS, INC. (US) 2013-09-10 US disclosed
WO-2012118498-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISORDERS AQUILUS PHARMACEUTICALS, INC. (US) 2012-09-07 WO disclosed
US-20110230452-A1 Compounds and methods for the treatment of pain and other diseases AQUILUS PHARMACEUTICALS, INC. 2011-09-22 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
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
US-20060004066-A1 Method for treating ADAMTS-5-associated disease WYETH (US) 2006-01-05 US disclosed
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 US 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 (6 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 ADAMTS4 113/4885MMP2 5/4885MMP13 13/4885
US-20060004066-A1 Method for treating ADAMTS-5-associated disease ADAMTS5, ADAMTS1, ADAMTS4 ADAMTS4 3/4885MMP2 119/4885MMP13 34/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC ADAMTS4 113/4885MMP2 5/4885MMP13 13/4885
US-20070225327-A1 Biaryl Sulfonamides and Methods for Using Same STS, MMP3, AADAC ADAMTS4 113/4885MMP2 5/4885MMP13 13/4885
US-20130338116-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES MMP9, MMP10, MMP3 ADAMTS4 28/4885MMP2 5/4885MMP13 8/4885
US-20110230452-A1 Compounds and methods for the treatment of pain and other diseases MMP9, MMP10, MMP3 ADAMTS4 28/4885MMP2 5/4885MMP13 8/4885

“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.