SCHEMBL851449

SCHEMBL851449

CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)OC)CC(C)C

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.82
MMP1 P03956 12/20 0.82
MMP9 P14780 9/20 0.82
MMP8 P22894 7/20 0.82
MMP14 P50281 2/20 0.79
ADAM10 O14672 1/20 0.79
ADAM12 O43184 1/20 0.79
ADAMTS4 O75173 1/20 0.79
MMP3 P08254 1/20 0.79
MMP7 P09237 1/20 0.79
MMP12 P39900 1/20 0.79
MMP13 P45452 1/20 0.79
MMP15 P51511 1/20 0.79
MMP16 P51512 1/20 0.79
ADAM17 P78536 1/20 0.79
ADAM9 Q13443 1/20 0.79
MMP26 Q9NRE1 1/20 0.79
MMP17 Q9ULZ9 1/20 0.79
ADAMTS5 Q9UNA0 1/20 0.79

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
SCHEMBL6578096 1.00 MMP2 (0.82) MMP2MMP1MMP9MMP8MMP14
SCHEMBL6577392 0.91 ECE1 (0.76) MMP2MMP1MMP9MMP8MMP14
SCHEMBL7371076 0.91 ECE1 (0.76) MMP2MMP1MMP9MMP8MMP14
SCHEMBL13519538 0.91 MMP2 (0.76) MMP2MMP1MMP9MMP8MMP14
SCHEMBL6577835 0.90 MMP1 (0.68) MMP2MMP1MMP9MMP8MMP14
SCHEMBL6577793 0.90 MMP2 (1.00) MMP2MMP1MMP9MMP8MMP14
Ilomastat SCHEMBL8190117 0.88 MMP2 (1.00) MMP2MMP1MMP9MMP8MMP14
Ilomastat SCHEMBL35303 0.88 MMP2 (1.00) MMP2MMP1MMP9MMP8MMP14
Ilomastat SCHEMBL13575799 0.88 MMP2 (1.00) MMP2MMP1MMP9MMP8MMP14
Ilomastat SCHEMBL4293696 0.88 MMP2 (1.00) MMP2MMP1MMP9MMP8MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060205671-A1 Compositions and methods for use of a protease inhibitor and adenosine for preventing organ ischemia and reperfusion injury EMORY UNIVERSITY 2006-09-14 US claimed
US-20120115163-A1 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP VRIJE UNIVERSITEIT BRUSSEL (BE) 2012-05-10 US disclosed
EP-2432800-A2 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP Université Joseph Fourier (FR) 2012-03-28 EP disclosed
US-7897591-B2 Method of treating fatty liver disease CHILDREN'S MEDICAL CENTER CORPORATION (US) 2011-03-01 US disclosed
WO-2010133806-A2 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP UNIVERSITE JOSEPH FOURIER (FR) 2010-11-25 WO disclosed
US-20090221533-A1 METHOD OF TREATING FATTY LIVER DISEASE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-09-03 US disclosed
WO-2007016390-A1 MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING FATTY LIVER DISEASE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2007-02-08 WO disclosed
US-20060205671-A1 Compositions and methods for use of a protease inhibitor and adenosine for preventing organ ischemia and reperfusion injury EMORY UNIVERSITY 2006-09-14 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 (1 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-20120115163-A1 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP IAPP, ANPEP, ENPEP MMP2 710/4885MMP1 330/4885MMP9 2021/4885

“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.