SCHEMBL5433263

SCHEMBL5433263

NC(=O)OC1c2ccc([N+](=O)[O-])cc2CCN1S(=O)(=O)CCc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 6/20 0.43
MMP3 P08254 3/20 0.43
MMP13 P45452 2/20 0.43
DRD4 P21917 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
MMP12 P39900 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP7 P09237 1/20 0.38

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
SCHEMBL5163157 0.90 MMP12 (0.42) MMP8MMP3MMP13DRD4ALDH1A1
SCHEMBL5449079 0.85 MMP8 (0.54) MMP8MMP3MMP13MMP12MMP1
SCHEMBL5444979 0.85 MMP8 (0.54) MMP8MMP3MMP13MMP12MMP1
SCHEMBL5445437 0.85 MMP8 (0.54) MMP8MMP3MMP13MMP12MMP1
SCHEMBL14427188 0.84 MMP8 (0.48) MMP8MMP3MMP13DRD4ALDH1A1
SCHEMBL14427187 0.82 MMP12 (0.56) MMP8MMP3MMP13DRD4ALDH1A1
SCHEMBL5445135 0.78 MMP8 (0.51) MMP8MMP3MMP13MMP12MMP1
SCHEMBL5164001 0.74 MMP8 (0.52) MMP8MMP3MMP13MMP12MMP1
SCHEMBL5165977 0.74 MMP8 (0.52) MMP8MMP3MMP13MMP12MMP1
SCHEMBL5431916 0.70 MMP8 (0.48) MMP8MMP3ALDH1A1POLBMMP1

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.