SCHEMBL940602

SCHEMBL940602

O=C1NC(=O)C(CCCN2CCOCC2)(CS(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)N1OC(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.38
DRD2 P14416 4/20 0.36
CCR2 P41597 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
HTR1A P08908 3/20 0.34
HTR2A P28223 3/20 0.34
DRD3 P35462 3/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
MMP13 P45452 2/20 0.34
MMP12 P39900 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
KMT2A Q03164 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL940601 0.79 MCHR1 (0.38) MCHR1DRD2CCR2CA1CA2
SCHEMBL942610 0.73 MMP1 (0.42) MMP13MMP12
SCHEMBL942563 0.70 MCHR1 (0.52) MCHR1DRD2CCR2HTR1ADRD3
Trifluoroacetic Acid SCHEMBL943119 0.67 MMP13 (0.41) MMP13MMP12
SCHEMBL941450 0.67 MMP1 (0.41) MMP13MMP12
SCHEMBL941298 0.63 MMP13 (0.48) MMP13MMP12MMP2MMP9
SCHEMBL942107 0.61 MMP3 (0.45) MCHR1DRD2MMP13KMT2AMMP2
SCHEMBL944081 0.61 MMP13 (0.72) MMP13MMP12
SCHEMBL941706 0.59 MMP13 (0.47) MMP13MMP12
SCHEMBL941297 0.59 MMP13 (0.45) MMP13MMP12MMP2MMP9

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
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-20080306065-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-7427631-B2 especially as inhibitors of MMP12 ASTRAZENECA AB (SE) 2008-09-23 US disclosed
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 US disclosed
EP-1370556-B1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-07-19 EP disclosed
EP-1676846-A2 Hydantoin derivatives as MMP inhibitors AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
US-20040127528-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-01 US 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 (5 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-20110003853-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MCHR1 4098/4885DRD2 4834/4885CCR2 2248/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MCHR1 4098/4885DRD2 4834/4885CCR2 2248/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MCHR1 4098/4885DRD2 4834/4885CCR2 2248/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 MCHR1 4266/4885DRD2 4866/4885CCR2 2851/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 MCHR1 2038/4885DRD2 3229/4885CCR2 693/4885

“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.