SCHEMBL5443161

SCHEMBL5443161

NC(=O)O[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
MMP3 P08254 7/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP1 P03956 3/20 0.44
MMP8 P22894 9/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MMP7 P09237 1/20 0.43
TAS2R14 Q9NYV8 2/20 0.42
ADAM17 P78536 1/20 0.42

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
SCHEMBL5439955 1.00 THRB (0.49) THRBSMN1; SMN2MMP3MMP2MMP9
SCHEMBL5448028 0.91 MMP1 (0.44) SMN1; SMN2MMP3MMP2MMP9MMP1
SCHEMBL5430793 0.90 MMP8 (0.52) MMP3MMP2MMP9MMP1MMP8
SCHEMBL5435855 0.90 TAS2R14 (0.51) MMP3MMP2MMP9MMP1MMP8
SCHEMBL5437354 0.90 MMP1 (0.46) SMN1; SMN2MMP3MMP1MMP8TAS2R14
SCHEMBL5439605 0.89 HTR6 (0.42) THRBMMP3MMP2MMP9MMP1
SCHEMBL5439930 0.89 MMP8 (0.44) THRBMMP3MMP2MMP9MMP1
SCHEMBL5431774 0.89 HTR6 (0.42) THRBMMP3MMP2MMP9MMP1
SCHEMBL3311307 0.89 HTR6 (0.42) THRBMMP3MMP2MMP9MMP1
SCHEMBL5439664 0.89 MMP3 (0.43) SMN1; SMN2MMP3MMP2MMP9MMP1

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 THRB 3838/4885SMN1; SMN2 3801/4885MMP3 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.