SCHEMBL1021791

SCHEMBL1021791

O=C(O)C1c2ccc(OCCn3ccnc3)cc2CCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.46
MMP1 P03956 4/20 0.44
MMP2 P08253 4/20 0.44
MMP9 P14780 4/20 0.44
MMP12 P39900 4/20 0.44
MMP14 P50281 4/20 0.44
MMP15 P51511 4/20 0.44
MMP16 P51512 4/20 0.44
MMP26 Q9NRE1 4/20 0.44
MMP7 P09237 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CACNA1B Q00975 2/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 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
SCHEMBL1022853 0.92 MMP1 (0.53) TBXAS1MMP1MMP2MMP9MMP12
SCHEMBL1022410 0.92 MMP1 (0.54) TBXAS1MMP1MMP2MMP9MMP12
SCHEMBL3538924 0.92 MMP1 (0.45) TBXAS1MMP1MMP2MMP9MMP12
SCHEMBL1021792 0.89 TBXAS1 (0.44) TBXAS1MMP1MMP2MMP9MMP12
SCHEMBL1021485 0.86 CACNA1B (0.43) TBXAS1MMP1MMP2MMP9MMP12
SCHEMBL1021990 0.86 CACNA1B (0.43) TBXAS1MMP1MMP2MMP9MMP12
SCHEMBL3534142 0.85 MMP1 (0.52) TBXAS1MMP1MMP2MMP9MMP12
SCHEMBL1021839 0.84 ESR1 (0.54) MMP1MMP2MMP9MMP12MMP14
SCHEMBL1021988 0.84 MMP1 (0.63) MMP1MMP2MMP9MMP12MMP14
SCHEMBL1019183 0.83 MMP1 (0.52) 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 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 TBXAS1 121/4885MMP1 9/4885MMP2 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.