SCHEMBL3534142

SCHEMBL3534142

COC(=O)C1c2ccc(OCCn3ccnc3)cc2CCN1S(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.52
MMP2 P08253 5/20 0.52
MMP9 P14780 5/20 0.52
MMP12 P39900 5/20 0.52
MMP14 P50281 5/20 0.52
MMP15 P51511 5/20 0.52
MMP16 P51512 5/20 0.52
MMP26 Q9NRE1 5/20 0.52
MMP7 P09237 4/20 0.52
TBXAS1 P24557 3/20 0.43
TAS2R14 Q9NYV8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3538924 0.94 MMP1 (0.45) MMP1MMP2MMP9MMP12MMP14
SCHEMBL1022853 0.93 MMP1 (0.53) MMP1MMP2MMP9MMP12MMP14
SCHEMBL1021988 0.92 MMP1 (0.63) MMP1MMP2MMP9MMP12MMP14
SCHEMBL1021973 0.88 MMP1 (0.47) MMP1MMP2MMP9MMP12MMP14
SCHEMBL1022854 0.87 MMP1 (0.48) MMP1MMP2MMP9MMP12MMP14
SCHEMBL1021032 0.86 MMP1 (0.49) MMP1MMP2MMP9MMP12MMP14
SCHEMBL1021791 0.85 TBXAS1 (0.46) MMP1MMP2MMP9MMP12MMP14
SCHEMBL1022410 0.85 MMP1 (0.54) MMP1MMP2MMP9MMP12MMP14
SCHEMBL3535505 0.85 MMP1 (0.55) MMP1MMP2MMP9MMP12MMP14
SCHEMBL3534955 0.83 MMP1 (0.55) 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-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 9/4885MMP2 3/4885MMP9 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.