SCHEMBL587257

SCHEMBL587257

CC(C)(C)OC(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
NR1H2 P55055 1/20 0.46
MAPK1 P28482 1/20 0.43
ABHD6 Q9BV23 3/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
USP30 Q70CQ3 1/20 0.40
UCHL1 P09936 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PRMT5 O14744 3/20 0.39
WDR77 Q9BQA1 3/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NAMPT P43490 1/20 0.38
SCN9A Q15858 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL29644427 0.91 ESR2 (0.46) ESR2NR1H2MAPK1ABHD6DDB1
SCHEMBL2118147 0.91 ESR2 (0.46) ESR2NR1H2MAPK1ABHD6DDB1
SCHEMBL3598269 0.90 DDB1 (0.49) ESR2NR1H2MAPK1ABHD6DDB1
SCHEMBL29814594 0.90 DDB1 (0.49) ESR2NR1H2MAPK1ABHD6DDB1
SCHEMBL5492374 0.84 NOTUM (0.38) ABHD6TMEM97SIGMAR1MAPT
SCHEMBL25299207 0.83 DDB1 (0.38) ESR2NR1H2MAPK1ABHD6DDB1
SCHEMBL14677886 0.82 ABHD6 (0.44) ESR2ABHD6CREBBP
SCHEMBL19949084 0.82 MAPT (0.42) ESR2NR1H2ABHD6USP30MAPT
SCHEMBL38653270 0.82 ESR2 (0.41) ESR2NR1H2MAPK1DDB1CRBN
SCHEMBL22775810 0.81 ESR2 (0.43) ESR2NR1H2MAPK1ABHD6DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831199-B1 MMP inhibitors ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
US-20100256166-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-07 US disclosed
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
US-7700604-B2 Hydantoin derivatives as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-04-20 US disclosed
US-7655664-B2 Hydantoin derivatives as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-02 US disclosed
EP-2125778-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY Millennium Pharmaceuticals, Inc. (US) 2009-12-02 EP disclosed
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
WO-2008079277-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-02-07 US disclosed
EP-1831196-A1 NOVEL HYDANTOIN DERIVATIVES AS METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2007-09-12 EP disclosed
EP-1831199-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065215-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2006065216-A1 NOVEL HYDANTOIN DERIVATIVES AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 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 (4 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-20100256166-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 ESR2 3455/4885NR1H2 4355/4885MAPK1 1999/4885
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 ESR2 3455/4885NR1H2 4355/4885MAPK1 1999/4885
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MAP3K5, MAP4K5, MAP3K20 ESR2 2853/4885NR1H2 3328/4885MAPK1 201/4885
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 ESR2 3455/4885NR1H2 4355/4885MAPK1 1999/4885

“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.