SCHEMBL6435290

SCHEMBL6435290

CC(C)CC(CNC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.NC(=O)N1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 6/20 0.64
MMP2 P08253 7/20 0.63
MMP9 P14780 5/20 0.63
MMP8 P22894 5/20 0.63
MMP1 P03956 2/20 0.55
ACE P12821 2/20 0.55
ERAP2 Q6P179 2/20 0.54
ANPEP P15144 1/20 0.54
ERAP1 Q9NZ08 1/20 0.54

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
SCHEMBL6575260 0.89 MMP2 (0.66) ECE1MMP2MMP9MMP8MMP1
SCHEMBL6431194 0.89 ECE1 (0.79) ECE1MMP2MMP9MMP8MMP1
SCHEMBL8651238 0.85 MMP2 (0.73) ECE1MMP2MMP9MMP8MMP1
SCHEMBL8527781 0.82 ECE1 (0.65) ECE1
SCHEMBL8527775 0.82 ECE1 (0.65) ECE1
SCHEMBL8657319 0.82 ECE1 (0.65) ECE1
SCHEMBL6577614 0.81 MMP2 (0.80) ECE1MMP2MMP9MMP8MMP1
SCHEMBL6439250 0.81 MMP2 (0.80) ECE1MMP2MMP9MMP8MMP1
SCHEMBL7765890 0.81 MMP2 (0.80) ECE1MMP2MMP9MMP8MMP1
SCHEMBL31331902 0.81 ECE1 (0.64) ECE1

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 31 patents — showing the first 20. 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-0558648-B1 IMPROVED MATRIX METALLOPROTEASE INHIBITORS GALARDY RICHARD E (US) 2004-04-28 EP 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
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-0663823-B1 INHIBITION OF ANGIOGENESIS BY SYNTHETIC MATRIX METALLOPROTEASE INHIBITORS GLYCOMED INC (US) 2000-11-22 EP disclosed
EP-0558648-A4 IMPROVED MATRIX METALLOPROTEASE INHIBITORS 1993-11-24 EP disclosed
EP-0558635-A4 IMPROVED MATRIX METALLOPROTEASE INHIBITORS 1993-11-24 EP disclosed
EP-0558648-A1 IMPROVED MATRIX METALLOPROTEASE INHIBITORS GALARDY, Richard, E. (US) 1993-09-08 EP disclosed
EP-0558635-A1 IMPROVED MATRIX METALLOPROTEASE INHIBITORS. GLYCOMED INC (US) 1993-09-08 EP disclosed
US-5239078-A Collagenase enzyme inhibitors GLYCOMED INCORPORATED (US) 1993-08-24 US disclosed
US-5189178-A Preventing protein destruction GALARDY RICHARD E (US) 1993-02-23 US disclosed
US-5183900-A Matrix metalloprotease inhibitors GALARDY RICHARD E (US) 1993-02-02 US disclosed
WO-1992009556-A1 IMPROVED MATRIX METALLOPROTEASE INHIBITORS GALARDY RICHARD E (US) 1992-06-11 WO disclosed
WO-1992009563-A1 IMPROVED MATRIX METALLOPROTEASE INHIBITORS GLYCOMED, INC. (US) 1992-06-11 WO disclosed
US-5114953-A Peptides UNIVERSITY OF FLORIDA (US) 1992-05-19 US 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 ECE1 71/4885MMP2 19/4885MMP9 1/4885
US-20050020607-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 ECE1 71/4885MMP2 19/4885MMP9 1/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 ECE1 71/4885MMP2 19/4885MMP9 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.