SCHEMBL1021497

SCHEMBL1021497

CN1CCN(CCCOc2ccc3c(c2)CCN(S(=O)(=O)c2ccc(Oc4ccc(F)cc4)cc2)C3C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
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
IKBKB O14920 4/20 0.45
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
DRD2 P14416 2/20 0.42
HRH3 Q9Y5N1 3/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL3532875 0.92 MMP1 (0.48) USP2ALDH1A1HPGDMMP1MMP2
SCHEMBL12991157 0.91 MMP1 (0.57) USP2ALDH1A1HPGDMMP1MMP2
SCHEMBL1021498 0.89 ESR1 (0.45) USP2ALDH1A1HPGDMMP1MMP2
SCHEMBL1021839 0.89 ESR1 (0.54) MMP1MMP2MMP9MMP12MMP14
SCHEMBL1019183 0.88 MMP1 (0.52) MMP1MMP2MMP9MMP12MMP14
SCHEMBL1022529 0.87 ESR1 (0.47) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL1022000 0.86 MEN1 (0.46) USP2ALDH1A1HPGDMMP1MMP2
SCHEMBL1021053 0.85 MMP1 (0.47) MMP1MMP2MMP9MMP12MMP14
SCHEMBL1023173 0.82 MMP1 (0.56) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL1021791 0.82 TBXAS1 (0.46) ALDH1A1MMP1MMP2MMP9MMP12

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 USP2 3525/4885ALDH1A1 304/4885HPGD 113/4885

“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.