SCHEMBL1022044

SCHEMBL1022044

O=C(NO)C1c2c(Br)ccc(OCCN3CCCCC3)c2CCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 15/20 0.46
▸ MMP7 P09237 6/20 0.46
▸ MMP3 P08254 4/20 0.46
▸ MMP2 P08253 4/20 0.43
▸ MMP9 P14780 3/20 0.43
▸ ADAM17 P78536 4/20 0.42
▸ MMP13 P45452 3/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ MMP12 P39900 2/20 0.38
▸ MMP14 P50281 2/20 0.38
▸ MMP15 P51511 2/20 0.38
▸ MMP16 P51512 2/20 0.38
▸ MMP26 Q9NRE1 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL1021774 0.92 LTA4H (0.43) MMP1MMP7MMP3MMP2MMP9
SCHEMBL3536025 0.89 CACNA1F (0.41) MMP1MMP7MMP3MMP9ADAM17
SCHEMBL1021151 0.88 MMP1 (0.41) MMP1MMP7MMP3MMP2MMP9
SCHEMBL1020936 0.88 MMP1 (0.47) MMP1MMP7MMP3MMP2MMP9
SCHEMBL1021775 0.86 LTA4H (0.42) MMP1MMP7MMP3MMP2MMP9
SCHEMBL1020100 0.83 LTA4H (0.39) MMP1MMP7MMP3MMP9ADAM17
SCHEMBL1022551 0.81 MMP1 (0.58) MMP1MMP7MMP3MMP2MMP9
SCHEMBL1020682 0.80 LTA4H (0.45) MMP1MMP7MMP3LTA4HKCNH2
SCHEMBL1020938 0.79 MMP1 (0.43) MMP1MMP7MMP3MMP2MMP9
SCHEMBL1020684 0.76 ESR1 (0.44) MMP1MMP7MMP3LTA4HKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869001-B1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE SANOFI AVENTIS (FR) 2011-01-12 — — EP 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

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 9/4885MMP7 5/4885MMP3 2/4885

“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.

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