SCHEMBL5437350

SCHEMBL5437350

NC(=O)O[C@@H]1c2ccccc2CCN1S(=O)(=O)CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 10/20 0.51
MMP3 P08254 3/20 0.51
MMP13 P45452 6/20 0.49
MMP12 P39900 5/20 0.49
MMP1 P03956 1/20 0.40
MMP7 P09237 1/20 0.40
FKBP1A P62942 4/20 0.40
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
SIGMAR1 Q99720 2/20 0.37

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
SCHEMBL5445135 1.00 MMP8 (0.51) MMP8MMP3MMP13MMP12MMP1
SCHEMBL5437023 1.00 MMP8 (0.51) MMP8MMP3MMP13MMP12MMP1
SCHEMBL5449079 0.93 MMP8 (0.54) MMP8MMP3MMP13MMP12MMP1
SCHEMBL5444979 0.93 MMP8 (0.54) MMP8MMP3MMP13MMP12MMP1
SCHEMBL5445437 0.93 MMP8 (0.54) MMP8MMP3MMP13MMP12MMP1
SCHEMBL5165108 0.88 MMP8 (0.55) MMP8MMP3MMP13MMP12MMP1
SCHEMBL5163127 0.88 MMP8 (0.55) MMP8MMP3MMP13MMP12MMP1
SCHEMBL5160313 0.88 MMP8 (0.55) MMP8MMP3MMP13MMP12MMP1
SCHEMBL5439636 0.85 MMP8 (0.46) MMP8MMP3MMP13MMP12MMP1
SCHEMBL14427169 0.83 MMP8 (0.54) MMP8MMP3MMP13MMP12MMP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-30 US claimed
US-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-30 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-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS MMP9, MMP2, MMP3 MMP8 18/4885MMP3 3/4885MMP13 17/4885

“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.