SCHEMBL313439

SCHEMBL313439

CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CO3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 16/20 0.71
▸ MMP1 P03956 2/20 0.71
▸ MMP9 P14780 11/20 0.70
▸ MMP14 P50281 8/20 0.70
▸ MMP8 P22894 5/20 0.70
▸ MMP3 P08254 2/20 0.70
▸ MMP7 P09237 1/20 0.70
▸ PLA2G7 Q13093 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NR3C1 P04150 1/20 0.47

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
SCHEMBL12717525 0.85 MMP2 (0.74) MMP2MMP1MMP9MMP14MMP8
SCHEMBL314080 0.83 MMP2 (1.00) MMP2MMP1MMP9MMP14MMP8
SCHEMBL10187427 0.82 MMP2 (0.60) MMP2MMP1MMP9MMP14MMP8
SCHEMBL314064 0.82 MMP2 (1.00) MMP2MMP1MMP9MMP14MMP8
SCHEMBL12717348 0.81 MMP2 (0.69) MMP2MMP1MMP9MMP14MMP8
SCHEMBL10238686 0.80 MMP9 (0.71) MMP2MMP1MMP9MMP14MMP8
SCHEMBL4292169 0.79 MMP2 (0.67) MMP2MMP1MMP9MMP14MMP8
SCHEMBL10187462 0.79 MMP2 (0.67) MMP2MMP1MMP9MMP14MMP8
SCHEMBL17026726 0.78 MMP2 (0.58) MMP2MMP1MMP9MMP14MMP8
SCHEMBL14727900 0.77 MMP2 (0.64) MMP2MMP1MMP9MMP14MMP8

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 13 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-8093287-B2 Inhibitors of matrix metalloproteinases UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-01-10 — — US disclosed
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-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES NOTRE DAME UNIVERSITY (US) 2011-09-15 — — 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-7928127-B2 Inhibitors of matrix metallaproteinases NOTRE DAME UNIVERSITY (US) 2011-04-19 — — 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
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
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 MMP2 3/4885MMP1 2/4885MMP9 1/4885
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES MMP9, MMP1, MMP2 MMP2 3/4885MMP1 2/4885MMP9 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.

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