SCHEMBL6413161

SCHEMBL6413161

CNC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](CC(C)C)NC(=O)C(CCCN1C(=O)c2ccccc2C1=O)SC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 11/20 0.47
MMP2 P08253 9/20 0.47
MMP1 P03956 9/20 0.47
MMP9 P14780 6/20 0.47
MMP7 P09237 4/20 0.47
MMP14 P50281 4/20 0.47
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPC1 O15118 1/20 0.39
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8385864 0.93 MMP3 (0.42) MMP3MMP2MMP1MMP9MMP7
SCHEMBL6419064 0.89 MMP3 (0.46) MMP3MMP2MMP1MMP9MMP7
SCHEMBL6414560 0.88 MMP3 (0.46) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7894400 0.88 MMP1 (0.59) MMP3MMP2MMP1MMP9MMP7
SCHEMBL8387026 0.88 MMP1 (0.59) MMP3MMP2MMP1MMP9MMP7
SCHEMBL6413515 0.88 MMP1 (0.59) MMP3MMP2MMP1MMP9MMP7
SCHEMBL6956564 0.87 KDM4E (0.43) MMP3MMP2MMP1MMP9MMP7
SCHEMBL6411992 0.85 MMP1 (0.59) MMP3MMP2MMP1MMP9MMP7
SCHEMBL6414900 0.83 MMP3 (0.47) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7897166 0.83 MMP3 (0.53) MMP3MMP2MMP1MMP9MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784629-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES DARWIN DISCOVERY LTD (GB) 1999-04-28 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
US-6340709-B1 ADMINISTERING BIPHENYLSULFONAMIDE DERIVATIVE WARNER-LAMBERT COMPANY 2002-01-22 US 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-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 MMP3 3/4885MMP2 19/4885MMP1 20/4885
US-20050020607-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 MMP3 3/4885MMP2 19/4885MMP1 20/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 MMP3 3/4885MMP2 19/4885MMP1 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.