SCHEMBL3534115

SCHEMBL3534115

CCN(CC)CCOc1ccc2c(c1)CCN(S(=O)(=O)c1ccc(Oc3ccc(OC)cc3)cc1)C2C(=O)NO

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 0.67
MMP9 P14780 15/20 0.67
MMP12 P39900 12/20 0.67
MMP2 P08253 12/20 0.67
MMP14 P50281 11/20 0.67
MMP15 P51511 11/20 0.67
MMP16 P51512 11/20 0.67
MMP26 Q9NRE1 10/20 0.67
MMP7 P09237 10/20 0.67
MMP3 P08254 5/20 0.47
MMP13 P45452 3/20 0.44

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
SCHEMBL1022069 0.93 MMP1 (0.57) MMP1MMP9MMP12MMP2MMP14
SCHEMBL3534955 0.92 MMP1 (0.55) MMP1MMP9MMP12MMP2MMP14
SCHEMBL1023198 0.91 MMP1 (0.56) MMP1MMP9MMP12MMP2MMP14
SCHEMBL1024080 0.87 MMP1 (0.53) MMP1MMP9MMP12MMP2MMP14
SCHEMBL3536039 0.85 MMP1 (0.67) MMP1MMP9MMP12MMP2MMP14
SCHEMBL3532212 0.85 MMP1 (0.48) MMP1MMP9MMP12MMP2MMP14
SCHEMBL1020994 0.85 MMP1 (0.50) MMP1MMP9MMP12MMP2MMP14
SCHEMBL1023199 0.84 MMP1 (0.51) MMP1MMP9MMP12MMP2MMP14
SCHEMBL1021988 0.83 MMP1 (0.63) MMP1MMP9MMP12MMP2MMP14
SCHEMBL1021053 0.83 MMP1 (0.47) MMP1MMP9MMP12MMP2MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858619-B2 Substituted tetrahydroisochinolines as MMP inhibitors, related production method and use as medicine SANOFI-AVENTIS (FR) 2010-12-28 US disclosed
US-7858619-B2 Substituted tetrahydroisochinolines as MMP inhibitors, related production method and use as medicine SANOFI-AVENTIS (FR) 2010-12-28 US disclosed
US-7858619-B2 Substituted tetrahydroisochinolines as MMP inhibitors, related production method and use as medicine SANOFI-AVENTIS (FR) 2010-12-28 US disclosed
US-20080090821-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE SANOFI-AVENTIS (FR) 2008-04-17 US disclosed
US-20080090821-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE SANOFI-AVENTIS (FR) 2008-04-17 US disclosed
US-20080090821-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE SANOFI-AVENTIS (FR) 2008-04-17 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-20080090821-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE MMP9, MMP3, MMP2 MMP1 9/4885MMP9 1/4885MMP12 24/4885

“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.