SCHEMBL6417231

SCHEMBL6417231

O=C(CCCc1ccccc1)NCCCCC(NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)O

nearest known ligand 0.91

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 20/20 0.91
MMP9 P14780 19/20 0.91
MMP1 P03956 6/20 0.91
MMP3 P08254 6/20 0.91
MMP7 P09237 6/20 0.91
MMP13 P45452 6/20 0.91
MMP8 P22894 6/20 0.70
MMP12 P39900 6/20 0.70
MMP14 P50281 6/20 0.70

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
SCHEMBL6417025 0.96 MMP2 (0.88) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6419967 0.96 MMP2 (0.88) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6412212 0.89 MMP2 (0.73) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6417083 0.89 MMP2 (0.82) MMP2MMP9MMP1MMP3MMP7
SCHEMBL7425260 0.89 MMP2 (0.72) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6414627 0.87 MMP2 (0.84) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6414105 0.86 MMP2 (0.71) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6419178 0.84 MMP2 (0.80) MMP2MMP9MMP1MMP3MMP7
SCHEMBL27540116 0.83 MMP2 (0.73) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6413001 0.83 MMP2 (0.72) MMP2MMP9MMP1MMP3MMP7

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-20050020607-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2005-01-27 US disclosed
US-20040176393-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2004-09-09 US disclosed
EP-1366765-A1 Use of matrix metalloproteinase inhibitors for treating neurological disorders and promoting wound healing WARNER-LAMBERT COMPANY LLC (US) 2003-12-03 EP disclosed
US-20020049237-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2002-04-25 US disclosed
CN-1310629-A Combined administration of ACAT and MMP inhibitors for the treatment of atherosclerotic lesions WARNER LAMBERT CO (US) 2001-08-29 CN disclosed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
EP-1063991-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY LLC (US) 2001-01-03 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed
EP-0946166-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1999-10-06 EP disclosed
WO-1999047138-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-23 WO disclosed
US-5948780-A ADMINISTERING A METALLOPROTEINASE INHIBITOR WARNER-LAMBERT COMPANY (US) 1999-09-07 US disclosed
WO-1998026773-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1998-06-25 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 (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-20040176393-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 MMP2 19/4885MMP9 1/4885MMP1 20/4885
US-20050020607-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 MMP2 19/4885MMP9 1/4885MMP1 20/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 MMP2 19/4885MMP9 1/4885MMP1 20/4885

“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.