SCHEMBL5439636

SCHEMBL5439636

NC(=O)OC1c2ccccc2CCN1S(=O)(=O)CCc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 9/20 0.46
MMP13 P45452 5/20 0.46
MMP12 P39900 4/20 0.46
THRB P10828 1/20 0.38
FKBP1A P62942 3/20 0.37
MMP3 P08254 3/20 0.37
LTA4H P09960 1/20 0.36
EPHX2 P34913 1/20 0.36
GPR183 P32249 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP1 P03956 1/20 0.35
MMP7 P09237 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 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
SCHEMBL5165907 0.89 MMP8 (0.51) MMP8MMP13MMP12THRBFKBP1A
SCHEMBL5437023 0.85 MMP8 (0.51) MMP8MMP13MMP12FKBP1AMMP3
SCHEMBL5437350 0.85 MMP8 (0.51) MMP8MMP13MMP12FKBP1AMMP3
SCHEMBL5445135 0.85 MMP8 (0.51) MMP8MMP13MMP12FKBP1AMMP3
SCHEMBL5439955 0.83 THRB (0.49) MMP8THRBMMP3SMN1; SMN2MMP1
SCHEMBL5443161 0.83 THRB (0.49) MMP8THRBMMP3SMN1; SMN2MMP1
SCHEMBL5444979 0.83 MMP8 (0.54) MMP8MMP13MMP12FKBP1AMMP3
SCHEMBL5445437 0.83 MMP8 (0.54) MMP8MMP13MMP12FKBP1AMMP3
SCHEMBL5449079 0.83 MMP8 (0.54) MMP8MMP13MMP12FKBP1AMMP3
SCHEMBL5439958 0.79 MMP8 (0.56) MMP8MMP13MMP12THRBMMP3

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 18/4885MMP13 17/4885MMP12 25/4885

“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.