SCHEMBL8300897

SCHEMBL8300897

CC(C)C[C@@H](C(=O)N[C@H](c1noc(-c2cccs2)n1)C(C)(C)C)[C@H](O)C(=O)NO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.63
CTSK P43235 7/20 0.43
CTSL P07711 6/20 0.43
CTSS P25774 6/20 0.43
ANPEP P15144 3/20 0.42
LTA4H P09960 2/20 0.42
MMP2 P08253 7/20 0.42
MMP9 P14780 5/20 0.42
MMP1 P03956 3/20 0.42
MMP3 P08254 3/20 0.42
MMP7 P09237 3/20 0.42
MMP8 P22894 3/20 0.42
ADAM17 P78536 2/20 0.42
MMP20 O60882 1/20 0.42
ADAMTS4 O75173 1/20 0.42
TNF P01375 1/20 0.42
MMP10 P09238 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42
MMP15 P51511 1/20 0.42

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
SCHEMBL8297607 1.00 MMP12 (0.63) MMP12CTSKCTSLCTSSANPEP
SCHEMBL1610444 0.92 MMP12 (0.55) MMP12CTSKCTSLCTSSANPEP
SCHEMBL8297606 0.90 MMP12 (0.53) MMP12CTSKCTSLCTSSANPEP
SCHEMBL8298929 0.86 MMP12 (0.74) MMP12CTSKCTSLCTSSANPEP
SCHEMBL8300835 0.86 MMP12 (0.74) MMP12CTSKCTSLCTSSANPEP
SCHEMBL12714138 0.86 MMP12 (0.63) MMP12ANPEPLTA4HMMP2MMP9
SCHEMBL12714116 0.83 MMP12 (0.45) MMP12CTSKCTSLCTSSMMP2
SCHEMBL8300920 0.83 MMP12 (0.65) MMP12CTSKCTSLCTSSANPEP
SCHEMBL12714131 0.83 MMP12 (0.64) MMP12ANPEPLTA4HMMP2MMP9
SCHEMBL12714200 0.81 MMP12 (0.43) MMP12CTSKCTSLCTSSMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309579-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-11-13 US disclosed
US-20110281891-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2011-11-17 US disclosed
US-7998964-B2 hydroxy((2S)-2-{[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl}-4-methylpentyl)formamide ; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative disorders, stroke, cancer, pre-term labor, endometriosis MERCK SERONO S.A. (CH) 2011-08-16 US disclosed
US-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2011-04-14 US disclosed
US-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2011-04-14 US disclosed
US-7879876-B2 matrix metalloproteinase inhibitors such as N-{1-[(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)methyl]-3-phenylpropyl}-N-hydroxy formamide; prophylaxis of autoimmune disorders, inflammatory diseases, cardiovascular disorders, neurodegenerative diseases, cancer, respiratory system disorders and fibrosis MERCK SERONO SA (CH) 2011-02-01 US disclosed
US-7838522-B2 Benzothiazole formulations and use thereof ARES TRADING S.A. (CH) 2010-11-23 US disclosed
US-20100035943-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (OXFORD) LTD (GB) 2010-02-11 US disclosed
US-20100035943-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (OXFORD) LTD (GB) 2010-02-11 US disclosed
US-20090221575-A1 Sulfonamide derivatives and use thereof for the modulation of metalloproteinases LABORATOIRES SERONO SA (CH) 2009-09-03 US disclosed
US-20080275060-A1 N-Hydroxyamide Derivatives and Use Thereof LABORATOIRES SERONO SA (CH) 2008-11-06 US disclosed
US-20080227833-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2008-09-18 US disclosed
US-20080227833-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2008-09-18 US disclosed
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders LABORATORIES SERONO SA (CH) 2008-08-28 US disclosed
US-7358265-B2 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (R&D) LTD 2008-04-15 US disclosed
US-7358265-B2 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (R&D) LTD 2008-04-15 US disclosed
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 US disclosed
EP-1476438-B1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS R&D LTD (GB) 2007-04-18 EP disclosed
WO-2007009959-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO disclosed
WO-2004101537-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LTD (GB) 2004-11-25 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 (8 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-20080051397-A1 Benzothiazole Formulations and Use Thereof MGLL, MBOAT4, MBOAT1 MMP12 2620/4885CTSK 944/4885CTSL 445/4885
US-20100035943-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors MMP12, TIMP3, MMP9 MMP12 1/4885CTSK 821/4885CTSL 544/4885
US-20110281891-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD MMP12 690/4885CTSK 1886/4885CTSL 1433/4885
US-20090221575-A1 Sulfonamide derivatives and use thereof for the modulation of metalloproteinases MMP12, STS, MMP14 MMP12 1/4885CTSK 295/4885CTSL 355/4885
US-20080227833-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 MMP12 1/4885CTSK 821/4885CTSL 544/4885
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders PPP1R1B, PPP5C, PPP3CA MMP12 1846/4885CTSK 3774/4885CTSL 3941/4885
US-20080275060-A1 N-Hydroxyamide Derivatives and Use Thereof HNMT, HCAR2, HPGD MMP12 690/4885CTSK 1886/4885CTSL 1433/4885
US-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 MMP12 1/4885CTSK 821/4885CTSL 544/4885

“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.