SCHEMBL2638859

SCHEMBL2638859

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 18/20 1.00
MMP1 P03956 18/20 1.00
MMP9 P14780 4/20 1.00
MMP2 P08253 10/20 0.98
MMP8 P22894 5/20 0.80
MMP7 P09237 7/20 0.76
FCER2 P06734 1/20 0.71

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
SCHEMBL2639291 0.99 MMP3 (1.00) MMP3MMP1MMP9MMP2MMP8
SCHEMBL8480892 0.94 MMP3 (0.89) MMP3MMP1MMP9MMP2MMP8
SCHEMBL8484210 0.94 MMP3 (0.89) MMP3MMP1MMP9MMP2MMP8
SCHEMBL8487053 0.91 MMP3 (0.84) MMP3MMP1MMP9MMP2MMP8
SCHEMBL8482048 0.91 MMP3 (0.84) MMP3MMP1MMP9MMP2MMP8
SCHEMBL8479923 0.91 MMP3 (0.83) MMP3MMP1MMP9MMP2MMP8
SCHEMBL8828119 0.91 MMP1 (0.83) MMP3MMP1MMP9MMP2MMP8
SCHEMBL2639074 0.89 MMP3 (1.00) MMP3MMP1MMP9MMP2MMP8
SCHEMBL8484818 0.89 MMP3 (0.80) MMP3MMP1MMP9MMP2MMP8
SCHEMBL8484275 0.88 MMP3 (0.79) MMP3MMP1MMP9MMP2MMP8

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H09509662-A 1997-09-30 JP claimed
US-5618844-A MATRIX METALLOPROTEINASE INHIBITOR SANOFI S.A. (FR) 1997-04-08 US claimed
US-20120135959-A1 Metalloprotein inhibitors containing nitrogen based ligands REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2012-05-31 US disclosed
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
US-6340709-B1 ADMINISTERING BIPHENYLSULFONAMIDE DERIVATIVE WARNER-LAMBERT COMPANY 2002-01-22 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
US-5948780-A ADMINISTERING A METALLOPROTEINASE INHIBITOR WARNER-LAMBERT COMPANY (US) 1999-09-07 US disclosed
EP-0749302-A4 HYDROXAMIC ACID AND CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE THEREOF SANOFI WINTHROP INC (US) 1999-08-25 EP 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
US-5618844-A MATRIX METALLOPROTEINASE INHIBITOR SANOFI S.A. (FR) 1997-04-08 US disclosed
EP-0749302-A1 HYDROXAMIC ACID AND CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE THEREOF SANOFI WINTHROP, INC. (US) 1996-12-27 EP disclosed
US-5514716-A MATRIX METALLOPROTEINASE INHIBITORS, ANTIARTHRITIC STERLING WINTHROP, INC. (US) 1996-05-07 US disclosed
WO-1995022966-A1 HYDROXAMIC ACID AND CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE THEREOF SANOFI WINTHROP, INC. (US) 1995-08-31 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 (4 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 MMP3 3/4885MMP1 20/4885MMP9 1/4885
US-20120135959-A1 Metalloprotein inhibitors containing nitrogen based ligands MMP8, MMP1, TIMP3 MMP3 11/4885MMP1 2/4885MMP9 4/4885
US-20050020607-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 MMP3 3/4885MMP1 20/4885MMP9 1/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 MMP3 3/4885MMP1 20/4885MMP9 1/4885

“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.