SCHEMBL3607816

SCHEMBL3607816

Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.76
L3MBTL1 Q9Y468 1/20 0.67
KDM4E B2RXH2 1/20 0.62
GAA P10253 1/20 0.62
LMNA P02545 2/20 0.61
MMP2 P08253 6/20 0.60
MMP13 P45452 5/20 0.60
MMP3 P08254 2/20 0.60
MMP9 P14780 2/20 0.60
ADAMTS4 O75173 1/20 0.60
MMP1 P03956 1/20 0.60
MMP7 P09237 1/20 0.60
TSHR P16473 1/20 0.60
TP53 P04637 1/20 0.60

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
SCHEMBL3598574 0.89 LMNA (0.63) ALDH1A1KDM4EGAALMNAMMP2
SCHEMBL8285296 0.79 ADAMTS4 (0.67) MMP2MMP13MMP3MMP9ADAMTS4
SCHEMBL328337 0.79 ALDH1A1 (0.74) ALDH1A1L3MBTL1KDM4EGAALMNA
SCHEMBL32691806 0.78 MMP2 (1.00) MMP2MMP13MMP3MMP9ADAMTS4
SCHEMBL4653257 0.78 MMP2 (1.00) MMP2MMP13MMP3MMP9ADAMTS4
SCHEMBL1750956 0.78 MMP2 (1.00) MMP2MMP13MMP3MMP9ADAMTS4
SCHEMBL20006965 0.77 TP53 (0.75) ALDH1A1L3MBTL1KDM4ETSHRTP53
SCHEMBL12585052 0.77 MAPK1 (0.79) ALDH1A1L3MBTL1KDM4ELMNATSHR
SCHEMBL13501815 0.76 ALDH1A1 (0.84) ALDH1A1L3MBTL1KDM4ELMNATSHR
SCHEMBL7667857 0.76 MMP2 (1.00) MMP2MMP13MMP3MMP9ADAMTS4

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-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 US claimed
EP-1692124-B1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH CORP (US) 2008-10-15 EP 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
US-20100168176-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FASGEN LLC (US) 2010-07-01 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
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 ALDH1A1 634/4885L3MBTL1 4176/4885KDM4E 1421/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC ALDH1A1 634/4885L3MBTL1 4176/4885KDM4E 1421/4885
US-20100168176-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME AOC3, CYP2B6, CBR3 ALDH1A1 938/4885L3MBTL1 3147/4885KDM4E 3186/4885

“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.