SCHEMBL3534955

SCHEMBL3534955

CCN(CC)CCOc1ccc2c(c1)CCN(S(=O)(=O)c1ccc(Oc3ccc(OC)cc3)cc1)C2C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.55
MMP9 P14780 9/20 0.55
MMP2 P08253 8/20 0.55
MMP12 P39900 8/20 0.55
MMP14 P50281 8/20 0.55
MMP15 P51511 8/20 0.55
MMP16 P51512 8/20 0.55
MMP26 Q9NRE1 8/20 0.55
MMP7 P09237 6/20 0.55
TAS2R14 Q9NYV8 2/20 0.44
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
GHSR Q92847 2/20 0.42
MMP13 P45452 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL3532212 0.93 MMP1 (0.48) MMP1MMP9MMP2MMP12MMP14
SCHEMBL1023198 0.92 MMP1 (0.56) MMP1MMP9MMP2MMP12MMP14
SCHEMBL3534115 0.92 MMP1 (0.67) MMP1MMP9MMP2MMP12MMP14
SCHEMBL1020994 0.87 MMP1 (0.50) MMP1MMP9MMP2MMP12MMP14
SCHEMBL1023199 0.86 MMP1 (0.51) MMP1MMP9MMP2MMP12MMP14
SCHEMBL1024080 0.85 MMP1 (0.53) MMP1MMP9MMP2MMP12MMP14
SCHEMBL3535505 0.85 MMP1 (0.55) MMP1MMP9MMP2MMP12MMP14
SCHEMBL1021053 0.85 MMP1 (0.47) MMP1MMP9MMP2MMP12MMP14
SCHEMBL1022069 0.84 MMP1 (0.57) MMP1MMP9MMP2MMP12MMP14
SCHEMBL3534142 0.83 MMP1 (0.52) MMP1MMP9MMP2MMP12MMP14

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-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

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 1/4885MMP2 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.