SCHEMBL315501

SCHEMBL315501

CCC(C1CO1)S(=O)(=O)c1ccc(Oc2ccc(CC(=O)OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.56
MMP2 P08253 10/20 0.41
MMP14 P50281 5/20 0.41
LIPE Q05469 1/20 0.40
MMP8 P22894 4/20 0.39
MMP1 P03956 3/20 0.38
MMP3 P08254 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KLK7 P49862 1/20 0.36
MMP7 P09237 2/20 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
SCHEMBL313885 0.87 MMP9 (0.62) MMP9MMP2MMP14MMP8MMP1
SCHEMBL315500 0.80 MMP9 (0.59) MMP9MMP2MMP14LIPEMMP8
SCHEMBL10238686 0.77 MMP9 (0.71) MMP9MMP2MMP14LIPEMMP8
SCHEMBL313380 0.75 MMP9 (0.47) MMP9MMP2MMP14MMP8MMP1
SCHEMBL11566747 0.74 MMP9 (0.62) MMP9LIPEALDH1A1CYP4F2CYP4A11
SCHEMBL12717515 0.72 MMP9 (0.76) MMP9MMP2MMP14MMP8MMP1
SCHEMBL10237374 0.72 MMP9 (1.00) MMP9MMP2MMP14MMP8MMP1
SCHEMBL12748079 0.72 MMP9 (0.60) MMP9MMP2MMP14LIPEMMP8
SCHEMBL313884 0.71 MMP9 (0.69) MMP9MMP2MMP14MMP8MMP1
SCHEMBL257153 0.68 MMP9 (0.57) MMP9ALDH1A1CYP4F2CYP4A11CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093287-B2 Inhibitors of matrix metalloproteinases UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-01-10 US disclosed
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES NOTRE DAME UNIVERSITY (US) 2011-09-15 US disclosed
US-7928127-B2 Inhibitors of matrix metallaproteinases NOTRE DAME UNIVERSITY (US) 2011-04-19 US disclosed
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-01 US disclosed
WO-2006125208-A1 INHIBITORS OF MATRIX METALLOPROTEINASES WAYNE STATE UNIVERSITY (US) 2006-11-23 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 (2 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-20090005420-A1 Inhibitors of Matrix Metallaproteinases MMP9, MMP1, MMP2 MMP9 1/4885MMP2 3/4885MMP14 15/4885
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES MMP9, MMP1, MMP2 MMP9 1/4885MMP2 3/4885MMP14 16/4885

“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.