SCHEMBL1021839

SCHEMBL1021839

O=C(O)C1c2ccc(OCCN3CCCCC3)cc2CCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.54
▸ ESR2 Q92731 5/20 0.54
▸ LTA4H P09960 1/20 0.49
▸ MMP1 P03956 4/20 0.47
▸ MMP2 P08253 4/20 0.47
▸ MMP9 P14780 4/20 0.47
▸ MMP12 P39900 4/20 0.47
▸ MMP14 P50281 4/20 0.47
▸ MMP15 P51511 4/20 0.47
▸ MMP16 P51512 4/20 0.47
▸ MMP26 Q9NRE1 4/20 0.47
▸ MMP7 P09237 3/20 0.47
▸ HRH3 Q9Y5N1 7/20 0.44
▸ HTR1A P08908 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL1022529 0.92 ESR1 (0.47) ESR1ESR2MMP1MMP2MMP9
SCHEMBL1023173 0.91 MMP1 (0.56) ESR1ESR2MMP1MMP2MMP9
SCHEMBL1022551 0.91 MMP1 (0.58) ESR1ESR2LTA4HMMP1MMP2
SCHEMBL3535445 0.91 ESR1 (0.53) ESR1ESR2LTA4HMMP1MMP2
SCHEMBL1021497 0.89 USP2 (0.47) ESR1ESR2MMP1MMP2MMP9
SCHEMBL1021841 0.88 ESR1 (0.55) ESR1ESR2LTA4HMMP1MMP2
SCHEMBL1019183 0.87 MMP1 (0.52) ESR1ESR2MMP1MMP2MMP9
SCHEMBL1020682 0.86 LTA4H (0.45) ESR1ESR2LTA4HMMP1MMP7
SCHEMBL1021791 0.84 TBXAS1 (0.46) ESR1ESR2MMP1MMP2MMP9
SCHEMBL1022552 0.84 ESR1 (0.51) ESR1ESR2LTA4HMMP1MMP2

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 10 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
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-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
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 ESR1 3179/4885ESR2 2188/4885LTA4H 114/4885

“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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