SCHEMBL1021510

SCHEMBL1021510

O=C(O)C1c2c(Br)ccc(O)c2CCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 8/20 0.44
▸ MMP9 P14780 6/20 0.44
▸ MMP2 P08253 6/20 0.44
▸ MMP1 P03956 11/20 0.43
▸ MMP7 P09237 6/20 0.43
▸ ADAM17 P78536 4/20 0.42
▸ MMP13 P45452 3/20 0.40
▸ SOS1 Q07889 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MMP14 P50281 3/20 0.38
▸ MMP12 P39900 2/20 0.38
▸ MMP15 P51511 2/20 0.38
▸ MMP16 P51512 2/20 0.38
▸ MMP26 Q9NRE1 2/20 0.38
▸ MAPT P10636 1/20 0.36
▸ MMP8 P22894 2/20 0.36
▸ THRB P10828 1/20 0.35

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
SCHEMBL1021304 0.88 MMP1 (0.44) MMP3MMP9MMP2MMP1MMP7
SCHEMBL3539228 0.87 MMP1 (0.43) MMP3MMP9MMP2MMP1MMP7
SCHEMBL1021512 0.87 MMP3 (0.43) MMP3MMP9MMP2MMP1MMP7
SCHEMBL1021774 0.81 LTA4H (0.43) MMP3MMP9MMP2MMP1MMP7
SCHEMBL1021525 0.80 MMP1 (0.40) MMP3MMP9MMP2MMP1MMP7
SCHEMBL14427249 0.79 MMP1 (0.43) MMP3MMP9MMP2MMP1MMP7
SCHEMBL1021305 0.75 MMP1 (0.43) MMP3MMP9MMP2MMP1MMP7
SCHEMBL12955748 0.74 THRB (0.52) MMP3MMP9MMP2MMP1MMP7
SCHEMBL14427229 0.74 THRB (0.52) MMP3MMP9MMP2MMP1MMP7
SCHEMBL14427231 0.74 THRB (0.52) MMP3MMP9MMP2MMP1MMP7

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 MMP3 2/4885MMP9 1/4885MMP2 3/4885

“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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