SCHEMBL3608574

SCHEMBL3608574

Cc1cc(-c2ccc(S(=O)(=O)NC(C(=O)O)C(C)C)cc2)cc(C)c1OC(=O)c1cc2ccccc2o1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 9/20 0.80
MMP2 P08253 10/20 0.68
MMP13 P45452 7/20 0.68
MMP14 P50281 3/20 0.68
MMP7 P09237 2/20 0.68
MMP12 P39900 1/20 0.68
MMP3 P08254 2/20 0.55
MMP1 P03956 1/20 0.55
MMP9 P14780 1/20 0.55

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
SCHEMBL13314510 1.00 ADAMTS4 (0.80) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL3609279 0.89 ADAMTS4 (0.63) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL12247612 0.89 ADAMTS4 (1.00) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL12684680 0.89 ADAMTS4 (1.00) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL1658546 0.89 ADAMTS4 (1.00) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL3612773 0.84 ADAMTS4 (0.80) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL8286012 0.84 ADAMTS4 (0.80) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL20124798 0.81 ADAMTS4 (0.86) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL12684636 0.81 ADAMTS4 (0.73) ADAMTS4MMP2MMP13MMP14MMP7
SCHEMBL3618624 0.81 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 14 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
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 EP disclosed
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 US disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
EP-1692124-B1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH CORP (US) 2008-10-15 EP disclosed
EP-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
US-7420001-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2008-09-02 US disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 WO 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 (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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 ADAMTS4 63/4885MMP2 106/4885MMP13 257/4885
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same STS, MMP3, AADAC ADAMTS4 113/4885MMP2 5/4885MMP13 13/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC ADAMTS4 113/4885MMP2 5/4885MMP13 13/4885

“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.