SCHEMBL5439664

SCHEMBL5439664

NC(=O)OC1c2ccccc2CCN1S(=O)(=O)c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 9/20 0.43
MMP1 P03956 8/20 0.43
MMP8 P22894 7/20 0.43
MMP7 P09237 5/20 0.43
MMP13 P45452 4/20 0.43
MMP9 P14780 2/20 0.43
ADAM17 P78536 2/20 0.43
MMP2 P08253 2/20 0.43
MMP14 P50281 1/20 0.43
TAS2R14 Q9NYV8 2/20 0.41
AKR1C3 P42330 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5448028 0.90 MMP1 (0.44) MMP3MMP1MMP8MMP7MMP9
SCHEMBL5430793 0.89 MMP8 (0.52) MMP3MMP1MMP8MMP13MMP9
SCHEMBL5439955 0.89 THRB (0.49) MMP3MMP1MMP8MMP7MMP9
SCHEMBL5443161 0.89 THRB (0.49) MMP3MMP1MMP8MMP7MMP9
SCHEMBL5437354 0.89 MMP1 (0.46) MMP3MMP1MMP8TAS2R14AKR1C3
SCHEMBL5435855 0.89 TAS2R14 (0.51) MMP3MMP1MMP8MMP7MMP13
SCHEMBL5439930 0.88 MMP8 (0.44) MMP3MMP1MMP8MMP13MMP9
SCHEMBL5165012 0.88 MMP1 (0.48) MMP3MMP1MMP8MMP7MMP13
SCHEMBL5434349 0.87 MMP1 (0.43) MMP3MMP1MMP8MMP7MMP13
SCHEMBL5439640 0.86 MMP1 (0.50) MMP3MMP1MMP8MMP13MMP9

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 MMP3 3/4885MMP1 8/4885MMP8 18/4885

“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.