SCHEMBL315716

SCHEMBL315716

CS(=O)(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 20/20 1.00
MMP9 P14780 18/20 1.00
MMP14 P50281 13/20 1.00
MMP3 P08254 7/20 1.00
MMP8 P22894 8/20 0.71
MMP7 P09237 4/20 0.71
MMP1 P03956 3/20 0.71
ADAM17 P78536 1/20 0.67

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
SCHEMBL12247618 0.91 MMP2 (0.84) MMP2MMP9MMP14MMP3MMP8
SCHEMBL2381073 0.88 MMP2 (0.78) MMP2MMP9MMP14MMP3MMP8
SCHEMBL14727896 0.86 MMP2 (0.76) MMP2MMP9MMP14MMP3MMP8
SCHEMBL10239054 0.86 MMP2 (0.75) MMP2MMP9MMP14MMP3MMP8
SCHEMBL12717520 0.85 MMP2 (0.74) MMP2MMP9MMP14MMP3MMP8
SCHEMBL19771706 0.84 MMP2 (0.72) MMP2MMP9MMP14MMP3MMP8
SCHEMBL14730967 0.84 MMP2 (0.72) MMP2MMP9MMP14MMP3MMP8
SCHEMBL314064 0.83 MMP2 (1.00) MMP2MMP9MMP14MMP3MMP8
SCHEMBL10238468 0.82 MMP2 (1.00) MMP2MMP9MMP14MMP3MMP8
SCHEMBL10187468 0.82 MMP2 (0.76) MMP2MMP9MMP14MMP3MMP8

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681209-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISORDERS AQUILUS PHARMACEUTICALS INC (US) 2018-05-09 EP disclosed
US-8828977-B2 Method of treating a subject suffering from degenerative disc disease using a matrix metalloprotease inhibitor DISCOGEN, LLC (US) 2014-09-09 US disclosed
US-8530453-B2 Compounds and methods for the treatment of pain and other diseases AQUILUS PHARMACEUTICALS, INC. (US) 2013-09-10 US disclosed
US-8530453-B2 Compounds and methods for the treatment of pain and other diseases AQUILUS PHARMACEUTICALS, INC. (US) 2013-09-10 US disclosed
WO-2012118498-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISORDERS AQUILUS PHARMACEUTICALS, INC. (US) 2012-09-07 WO 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-8093287-B2 Inhibitors of matrix metalloproteinases UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-01-10 US disclosed
US-20110230452-A1 Compounds and methods for the treatment of pain and other diseases AQUILUS PHARMACEUTICALS, INC. 2011-09-22 US disclosed
US-20110230452-A1 Compounds and methods for the treatment of pain and other diseases AQUILUS PHARMACEUTICALS, INC. 2011-09-22 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
EP-1986657-A2 METHOD OF TREATING A SUBJECT SUFFERING FROM DEGENERATIVE DISC DISEASE USING A MATRIX METALLOPROTEASE INHIBITOR Discogen, LLC (US) 2008-11-05 EP disclosed
WO-2007098099-A2 METHOD OF TREATING A SUBJECT SUFFERING FROM DEGENERATIVE DISC DISEASE USING A MATRIX METALLOPROTEASE INHIBITOR DISCOGEN, LLC (US) 2007-08-30 WO disclosed
US-20070190149-A1 Method of treating a subject suffering from degenerative disc disease using a matrix metalloprotease inhibitor DISCOGEN, LLC 2007-08-16 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 3/4885MMP9 1/4885MMP14 15/4885
US-20110230452-A1 Compounds and methods for the treatment of pain and other diseases MMP9, MMP10, MMP3 MMP2 5/4885MMP9 1/4885MMP14 6/4885

“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.