SCHEMBL5451005

SCHEMBL5451005

CC(C)N(C(=O)O)c1ccc(-c2ccc(S(=O)(=O)N3CCc4ccccc4C3C(=O)NO)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.56
MMP2 P08253 13/20 0.56
MMP9 P14780 13/20 0.56
MMP12 P39900 11/20 0.56
MMP14 P50281 11/20 0.56
MMP15 P51511 10/20 0.56
MMP16 P51512 10/20 0.56
MMP26 Q9NRE1 10/20 0.56
MMP7 P09237 7/20 0.52
MMP8 P22894 5/20 0.48
MMP3 P08254 3/20 0.48
AKR1C3 P42330 1/20 0.45

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
SCHEMBL14427157 0.83 MMP12 (0.77) MMP1MMP2MMP9MMP12MMP14
SCHEMBL5431767 0.83 MMP1 (0.65) MMP1MMP2MMP9MMP12MMP14
SCHEMBL5449195 0.83 MMP1 (0.65) MMP1MMP2MMP9MMP12MMP14
SCHEMBL5431771 0.83 MMP1 (0.65) MMP1MMP2MMP9MMP12MMP14
SCHEMBL14427202 0.82 MMP12 (0.64) MMP1MMP2MMP9MMP12MMP14
SCHEMBL14427218 0.78 MMP2 (0.64) MMP1MMP2MMP9MMP12MMP14
SCHEMBL14427161 0.78 MMP1 (0.76) MMP1MMP2MMP9MMP12MMP14
SCHEMBL5439966 0.77 MMP1 (0.65) MMP1MMP2MMP9MMP12MMP14
SCHEMBL5439969 0.77 MMP1 (0.65) MMP1MMP2MMP9MMP12MMP14
SCHEMBL14427250 0.76 MMP1 (0.72) MMP1MMP2MMP9MMP12MMP14

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 MMP1 8/4885MMP2 2/4885MMP9 1/4885

“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.