SCHEMBL6547584

SCHEMBL6547584

CC(C)CC(NC(=O)C(S)CCN1C(=O)N(C)C(C)(C)C1=O)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.70
MMP1 P03956 7/20 0.70
MMP3 P08254 6/20 0.70
MMP2 P08253 5/20 0.70
MMP13 P45452 4/20 0.70
MMP7 P09237 1/20 0.70
MMP14 P50281 1/20 0.70
MME P08473 4/20 0.47
MMP8 P22894 2/20 0.41
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
FOLH1 Q04609 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
SCHEMBL4787630 1.00 MMP9 (0.70) MMP9MMP1MMP3MMP2MMP13
SCHEMBL7254495 0.88 MMP9 (0.84) MMP9MMP1MMP3MMP2MMP13
SCHEMBL6554608 0.88 MMP9 (0.84) MMP9MMP1MMP3MMP2MMP13
SCHEMBL12300383 0.83 MMP1 (0.83) MMP9MMP1MMP3MMP2MMP13
Rebimastat SCHEMBL12946005 0.82 MMP1 (1.00) MMP9MMP1MMP3MMP2MMP13
Rebimastat SCHEMBL645121 0.82 MMP1 (1.00) MMP9MMP1MMP3MMP2MMP13
SCHEMBL13282886 0.82 MMP9 (0.73) MMP9MMP1MMP3MMP2MMP13
Rebimastat SCHEMBL12247619 0.82 MMP1 (1.00) MMP9MMP1MMP3MMP2MMP13
Rebimastat SCHEMBL4826862 0.82 MMP1 (1.00) MMP9MMP1MMP3MMP2MMP13
Rebimastat SCHEMBL2379355 0.82 MMP1 (1.00) MMP9MMP1MMP3MMP2MMP13

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 10 patents. 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
EP-2681209-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISORDERS Aquilus Pharmaceuticals, Inc (US) 2014-01-08 EP disclosed
US-20130338116-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES SUCHOLEIKI IRVING (US) 2013-12-19 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-6818622-B2 ADMINISTERING OVER A PERIOD OF AT LEAST THREE MONTHS A MATRIX METALLOPROTEINASE INHIBITOR FOR TREATMENT OF A PATIENT HAVING CANCER OR INFLAMMATION DARWIN DISCOVERY LTD. (GB) 2004-11-16 US disclosed
EP-0981366-B1 SELECTIVE MMP INHIBITORS HAVING REDUCED SIDE-EFFECTS DARWIN DISCOVERY LTD (GB) 2004-01-21 EP disclosed
US-20020035065-A1 Selective MMP inhibitors having reduced side-effects BIRD JOHN (GB) 2002-03-21 US disclosed
EP-0981366-A1 SELECTIVE MMP INHIBITORS HAVING REDUCED SIDE-EFFECTS Darwin Discovery Limited (GB) 2000-03-01 EP disclosed
WO-1998039024-A1 SELECTIVE MMP INHIBITORS HAVING REDUCED SIDE-EFFECTS DARWIN DISCOVERY LIMITED (GB) 1998-09-11 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 (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-20130338116-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES MMP9, MMP10, MMP3 MMP9 1/4885MMP1 9/4885MMP3 3/4885

“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.