SCHEMBL6417587

SCHEMBL6417587

CNC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cccc3c(Br)ccc(c23)C1=O)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.47
MMP9 P14780 8/20 0.46
CYP1B1 Q16678 4/20 0.45
MMP3 P08254 10/20 0.44
MMP2 P08253 9/20 0.44
MMP7 P09237 5/20 0.44
MMP14 P50281 3/20 0.44
MMP8 P22894 3/20 0.42
FCER2 P06734 1/20 0.42

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
SCHEMBL7329042 0.94 MMP1 (0.47) MMP1MMP9CYP1B1MMP3MMP2
SCHEMBL9289931 0.90 MMP1 (0.54) MMP1MMP9MMP3MMP2MMP7
SCHEMBL7327878 0.90 MMP1 (0.54) MMP1MMP9MMP3MMP2MMP7
SCHEMBL7321010 0.90 MMP1 (0.54) MMP1MMP9MMP3MMP2MMP7
SCHEMBL7320992 0.90 MMP1 (0.54) MMP1MMP9MMP3MMP2MMP7
SCHEMBL7320781 0.85 MMP1 (0.50) MMP1MMP9MMP3MMP2MMP7
SCHEMBL7322384 0.82 MMP1 (0.54) MMP1MMP9MMP3MMP2MMP7
SCHEMBL7322291 0.81 MMP1 (0.54) MMP1MMP9MMP3MMP2MMP7
SCHEMBL7322283 0.81 MMP1 (0.54) MMP1MMP9MMP3MMP2MMP7
SCHEMBL9348262 0.81 MMP1 (0.51) MMP1MMP9MMP3MMP2MMP7

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
EP-0612324-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1994-08-31 EP claimed
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
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-1993009136-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1993-05-13 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 MMP1 20/4885MMP9 1/4885CYP1B1 1242/4885
US-20050020607-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 MMP1 20/4885MMP9 1/4885CYP1B1 1242/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 MMP1 20/4885MMP9 1/4885CYP1B1 1242/4885

“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.