SCHEMBL1020682

SCHEMBL1020682

O=C(O)C1c2cccc(OCCN3CCCCC3)c2CCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.45
▸ ESR1 P03372 4/20 0.45
▸ ESR2 Q92731 4/20 0.45
▸ HTR1A P08908 7/20 0.41
▸ HTR7 P34969 7/20 0.41
▸ DRD2 P14416 3/20 0.41
▸ HTR6 P50406 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MMP1 P03956 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ HRH3 Q9Y5N1 3/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39

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
SCHEMBL1020936 0.91 MMP1 (0.47) LTA4HESR1ESR2HTR1AHTR7
SCHEMBL1020684 0.89 ESR1 (0.44) LTA4HESR1ESR2HTR1AHTR7
SCHEMBL3532851 0.88 ESR1 (0.50) ESR1ESR2KDM4ESMN1; SMN2MMP1
SCHEMBL1021839 0.86 ESR1 (0.54) LTA4HESR1ESR2HTR1AHTR7
SCHEMBL1021774 0.86 LTA4H (0.43) LTA4HESR1ESR2KDM4ESMN1; SMN2
SCHEMBL1020938 0.85 MMP1 (0.43) LTA4HESR1ESR2HTR1AHTR7
SCHEMBL5175084 0.84 ESR1 (0.42) LTA4HESR1ESR2HTR1AHTR7
SCHEMBL1021775 0.80 LTA4H (0.42) LTA4HESR1ESR2HTR1AHTR7
SCHEMBL1022044 0.80 MMP1 (0.46) LTA4HMMP1MMP3MMP7HRH3
SCHEMBL3535445 0.79 ESR1 (0.53) LTA4HESR1ESR2HTR1AHTR7

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 5 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
EP-1869001-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE Sanofi-Aventis (FR) 2007-12-26 — — EP disclosed
WO-2006102998-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE SANOFI-AVENTIS (DE) 2006-10-05 — — WO 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 LTA4H 114/4885ESR1 3179/4885ESR2 2188/4885

“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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