SCHEMBL3609984

SCHEMBL3609984

COC(=O)[C@@H](C(C)C)N(C)S(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.54
MMP2 P08253 7/20 0.50
MMP9 P14780 6/20 0.50
MMP13 P45452 5/20 0.50
MMP1 P03956 4/20 0.50
MMP3 P08254 3/20 0.50
MMP7 P09237 1/20 0.50
CA12 O43570 5/20 0.49
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA9 Q16790 5/20 0.49
CA14 Q9ULX7 5/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL3099546 1.00 ADAMTS4 (0.54) ADAMTS4MMP2MMP9MMP13MMP1
SCHEMBL3610021 1.00 ADAMTS4 (0.54) ADAMTS4MMP2MMP9MMP13MMP1
SCHEMBL3613169 0.84 ADAMTS4 (0.58) ADAMTS4MMP2MMP9MMP13MMP1
SCHEMBL3082275 0.84 ADAMTS4 (0.58) ADAMTS4MMP2MMP9MMP13MMP1
SCHEMBL3620444 0.84 ADAMTS4 (0.58) ADAMTS4MMP2MMP9MMP13MMP1
SCHEMBL6501034 0.80 ADAMTS4 (0.52) ADAMTS4MMP2MMP9MMP13MMP1
SCHEMBL27784184 0.79 ADAMTS4 (0.51) ADAMTS4MMP2MMP9MMP13MMP1
SCHEMBL3092467 0.79 ADAMTS4 (0.51) ADAMTS4MMP2MMP9MMP13MMP1
SCHEMBL6505810 0.79 ADAMTS4 (0.51) ADAMTS4MMP2MMP9MMP13MMP1
SCHEMBL1761338 0.79 POLB (0.43) MMP2MMP9MMP13MMP1MMP3

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 7 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-20100029598-A1 Extended Benzamide Derivatives as Modulators of the EP2 Receptor BAYER SCHERING PHARMA AG (DE) 2010-02-04 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

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 ADAMTS4 113/4885MMP2 5/4885MMP9 14/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC ADAMTS4 113/4885MMP2 5/4885MMP9 14/4885
US-20100029598-A1 Extended Benzamide Derivatives as Modulators of the EP2 Receptor PTGER2, PTGER1, PTGDR2 ADAMTS4 3715/4885MMP2 3743/4885MMP9 3520/4885

“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.