SCHEMBL5449079

SCHEMBL5449079

NC(=O)OC1c2ccccc2CCN1S(=O)(=O)CCc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 8/20 0.54
MMP13 P45452 5/20 0.54
MMP3 P08254 4/20 0.54
MMP12 P39900 3/20 0.42
FKBP1A P62942 5/20 0.38
MMP1 P03956 2/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP7 P09237 1/20 0.36
LIPE Q05469 1/20 0.36
BDKRB1 P46663 1/20 0.36
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL5445437 1.00 MMP8 (0.54) MMP8MMP13MMP3MMP12FKBP1A
SCHEMBL5444979 1.00 MMP8 (0.54) MMP8MMP13MMP3MMP12FKBP1A
SCHEMBL5445135 0.93 MMP8 (0.51) MMP8MMP13MMP3MMP12FKBP1A
SCHEMBL5437023 0.93 MMP8 (0.51) MMP8MMP13MMP3MMP12FKBP1A
SCHEMBL5437350 0.93 MMP8 (0.51) MMP8MMP13MMP3MMP12FKBP1A
SCHEMBL5164001 0.89 MMP8 (0.52) MMP8MMP13MMP3MMP12FKBP1A
SCHEMBL5165977 0.89 MMP8 (0.52) MMP8MMP13MMP3MMP12FKBP1A
SCHEMBL5433263 0.85 MMP8 (0.43) MMP8MMP13MMP3MMP12MMP1
SCHEMBL14427179 0.83 MMP8 (0.62) MMP8MMP13MMP3MMP12FKBP1A
SCHEMBL5439636 0.83 MMP8 (0.46) MMP8MMP13MMP3MMP12FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-30 US claimed
US-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-30 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 (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-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS MMP9, MMP2, MMP3 MMP8 18/4885MMP13 17/4885MMP3 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.