SCHEMBL3536039

SCHEMBL3536039

COc1ccc(Oc2ccc(S(=O)(=O)N3CCc4cc(OCCN5CCCCC5)ccc4C3C(=O)NO)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 16/20 0.67
MMP9 P14780 13/20 0.67
MMP12 P39900 11/20 0.67
MMP2 P08253 10/20 0.67
MMP14 P50281 10/20 0.67
MMP15 P51511 10/20 0.67
MMP16 P51512 10/20 0.67
MMP26 Q9NRE1 10/20 0.67
MMP7 P09237 8/20 0.67
ESR1 P03372 3/20 0.53
ESR2 Q92731 3/20 0.53
MMP13 P45452 4/20 0.50
MMP3 P08254 2/20 0.50

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
SCHEMBL12955634 0.93 MMP1 (0.64) MMP1MMP9MMP12MMP2MMP14
SCHEMBL1022551 0.92 MMP1 (0.58) MMP1MMP9MMP12MMP2MMP14
SCHEMBL3535505 0.92 MMP1 (0.55) MMP1MMP9MMP12MMP2MMP14
SCHEMBL1023173 0.91 MMP1 (0.56) MMP1MMP9MMP12MMP2MMP14
SCHEMBL1021277 0.87 MMP1 (0.53) MMP1MMP9MMP12MMP2MMP14
SCHEMBL3534115 0.85 MMP1 (0.67) MMP1MMP9MMP12MMP2MMP14
SCHEMBL1021283 0.85 ESR1 (0.53) MMP1MMP9MMP12MMP2MMP14
SCHEMBL3535445 0.85 ESR1 (0.53) MMP1MMP9MMP12MMP2MMP14
SCHEMBL1021988 0.85 MMP1 (0.63) MMP1MMP9MMP12MMP2MMP14
SCHEMBL1023175 0.84 ESR1 (0.55) 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.