SCHEMBL6329643

SCHEMBL6329643

COc1ccc(S(=O)(=O)N[C@@H](CSSC[C@H](NS(=O)(=O)c2ccc(OC)cc2)C(=O)O)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 0.60
MMP13 P45452 11/20 0.60
MMP9 P14780 9/20 0.60
MMP3 P08254 8/20 0.60
MMP1 P03956 7/20 0.60
SLC1A3 P43003 1/20 0.58
SLC1A2 P43004 1/20 0.58
SLC1A1 P43005 1/20 0.58
MMP8 P22894 3/20 0.58
MMP7 P09237 1/20 0.56
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52

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
SCHEMBL6329640 1.00 MMP2 (0.60) MMP2MMP13MMP9MMP3MMP1
SCHEMBL13570499 0.86 MMP2 (0.62) MMP2MMP13MMP9MMP3MMP1
SCHEMBL4620929 0.86 MMP2 (0.66) MMP2MMP13MMP9MMP3MMP1
SCHEMBL13570807 0.86 MMP2 (0.62) MMP2MMP13MMP9MMP3MMP1
SCHEMBL4619626 0.86 MMP2 (0.66) MMP2MMP13MMP9MMP3MMP1
SCHEMBL11887788 0.86 MMP2 (0.62) MMP2MMP13MMP9MMP3MMP1
SCHEMBL4621504 0.86 MMP2 (0.66) MMP2MMP13MMP9MMP3MMP1
SCHEMBL8093833 0.84 SLC1A3 (0.63) MMP2MMP13MMP9MMP3MMP1
SCHEMBL7391079 0.84 KEAP1 (0.62) MMP2MMP13MMP9MMP3MMP1
SCHEMBL7425855 0.84 KEAP1 (0.62) MMP2MMP13MMP9MMP3MMP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors PHARMACIA CORPORATION 2005-01-20 US disclosed
US-6747027-B1 SELECTIVELY INHIBITS IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-13 OVER IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-1 PHARMACIA CORPORATION 2004-06-08 US disclosed
EP-0939629-A4 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO CO (US) 2002-07-17 EP disclosed
EP-0939629-A1 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1999-09-08 EP disclosed
WO-1998003166-A1 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1998-01-29 WO 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 (1 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-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors MMP12, MMP13, MMP3 MMP2 26/4885MMP13 2/4885MMP9 11/4885

“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.