SCHEMBL3605361

SCHEMBL3605361

CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3nc4ccccc4s3)cc2)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.63
MMP9 P14780 3/20 0.63
ADAMTS4 O75173 4/20 0.61
MMP13 P45452 9/20 0.61
MMP3 P08254 2/20 0.61
MMP7 P09237 2/20 0.61
MMP1 P03956 1/20 0.61
MMP14 P50281 3/20 0.60
MMP12 P39900 1/20 0.60
NPC1 O15118 1/20 0.59
PKM P14618 1/20 0.59
NFKB1 P19838 1/20 0.59
RAB9A P51151 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL13314523 1.00 MMP2 (0.63) MMP2MMP9ADAMTS4MMP13MMP3
SCHEMBL14078093 1.00 MMP2 (0.63) MMP2MMP9ADAMTS4MMP13MMP3
SCHEMBL3613259 0.90 NPC1 (0.58) MMP2MMP9ADAMTS4MMP13MMP3
SCHEMBL3612405 0.87 MMP2 (0.64) MMP2MMP9ADAMTS4MMP13MMP3
SCHEMBL3612399 0.87 MMP2 (0.64) MMP2MMP9ADAMTS4MMP13MMP3
SCHEMBL3598888 0.84 MMP2 (0.62) MMP2MMP9ADAMTS4MMP13MMP3
SCHEMBL3598890 0.84 MMP2 (0.62) MMP2MMP9ADAMTS4MMP13MMP3
SCHEMBL13314522 0.83 MMP2 (0.59) MMP2MMP9ADAMTS4MMP13MMP3
SCHEMBL8285980 0.83 MMP2 (0.65) MMP2MMP9ADAMTS4MMP13MMP3
SCHEMBL3610090 0.80 MMP2 (0.69) MMP2MMP9ADAMTS4MMP13MMP3

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 11 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-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 (2 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 5/4885MMP9 14/4885ADAMTS4 113/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC MMP2 5/4885MMP9 14/4885ADAMTS4 113/4885

“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.