SCHEMBL6419116

SCHEMBL6419116

CC(C)(C)c1ccc(OCC(=O)NCCCCC(NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 19/20 0.61
MMP9 P14780 16/20 0.61
MMP3 P08254 8/20 0.60
MMP13 P45452 8/20 0.60
MMP1 P03956 7/20 0.60
MMP7 P09237 6/20 0.60
MMP8 P22894 4/20 0.52
MMP12 P39900 4/20 0.52
MMP14 P50281 4/20 0.52
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL6414915 0.90 MMP2 (0.64) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6413001 0.89 MMP2 (0.72) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6415418 0.89 MMP2 (0.63) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6417672 0.86 MMP2 (0.60) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7427052 0.80 MMP2 (0.56) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6418837 0.80 MMP2 (0.66) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7346914 0.80 MMP12 (0.47) MMP2MMP9MMP3MMP13MMP1
SCHEMBL28745526 0.80 MMP2 (0.71) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6413709 0.79 MMP2 (0.59) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6420474 0.79 MMP2 (0.64) MMP2MMP9MMP3MMP13MMP1

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 17 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
EP-1047450-B1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER LAMBERT CO (US) 2002-10-02 EP disclosed
US-20020049237-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2002-04-25 US 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
EP-1047450-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 2000-11-02 EP disclosed
US-6133304-A TREATING FIBROSIS, VENTRICULAR DILATION, AND/OR HEART FAILURE IN A MAMMAL BY ADMINISTERING AN ANTIFIBROTIC AMOUNT OF A MIXTURE OF AN ANGIOTENSIN-CONVERTING ENZYME(ACE) INHIBITOR AND AT LEAST ONE MATRIX METALLOPROTEINASE(MMP) INHIBITOR WARNER-LAMBERT COMPANY (US) 2000-10-17 US disclosed
EP-1028716-A1 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 2000-08-23 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-1999032150-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO 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
WO-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 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 1/4885MMP3 3/4885
US-20050020607-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 MMP2 19/4885MMP9 1/4885MMP3 3/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 MMP2 19/4885MMP9 1/4885MMP3 3/4885

“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.