SCHEMBL3612416

SCHEMBL3612416

COc1ccc2oc(C(=O)Nc3ccc(-c4ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc4)cc3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 1.00
MMP14 P50281 4/20 1.00
MMP13 P45452 7/20 0.77
ADAMTS4 O75173 2/20 0.75
MMP7 P09237 2/20 0.75
MMP12 P39900 1/20 0.75
MMP9 P14780 3/20 0.62
MMP1 P03956 1/20 0.61
MMP3 P08254 1/20 0.61
MMP8 P22894 1/20 0.61

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
SCHEMBL2380526 1.00 MMP2 (1.00) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL3622220 0.93 MMP2 (0.87) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL20124801 0.91 MMP2 (0.82) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL12247610 0.88 MMP2 (0.81) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL3607665 0.88 MMP2 (0.81) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL13314446 0.87 MMP2 (1.00) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL3618247 0.87 MMP2 (1.00) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL3613104 0.87 MMP2 (1.00) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL3612325 0.87 MMP2 (1.00) MMP2MMP14MMP13ADAMTS4MMP7
SCHEMBL3616420 0.86 MMP2 (1.00) MMP2MMP14MMP13ADAMTS4MMP7

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 19 patents. 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
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
US-8530453-B2 Compounds and methods for the treatment of pain and other diseases AQUILUS PHARMACEUTICALS, INC. (US) 2013-09-10 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
US-20110230452-A1 Compounds and methods for the treatment of pain and other diseases AQUILUS PHARMACEUTICALS, INC. 2011-09-22 US disclosed
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 US disclosed
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
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-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
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 (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 MMP2 5/4885MMP14 19/4885MMP13 13/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC MMP2 5/4885MMP14 19/4885MMP13 13/4885
US-20110230452-A1 Compounds and methods for the treatment of pain and other diseases MMP9, MMP10, MMP3 MMP2 5/4885MMP14 6/4885MMP13 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.