SCHEMBL5439634

SCHEMBL5439634

Cc1ccc(F)c2c1CCN(S(=O)(=O)c1ccc(Oc3ccc(Cl)cc3)cc1)[C@H]2OC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 3/20 0.41
MMP3 P08254 2/20 0.41
MMP9 P14780 5/20 0.40
MMP1 P03956 5/20 0.40
MMP2 P08253 2/20 0.40
MMP12 P39900 1/20 0.39
MMP14 P50281 1/20 0.39
MAPT P10636 1/20 0.38
ADAM17 P78536 4/20 0.37
MMP13 P45452 3/20 0.37
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 4/20 0.36
POLB P06746 1/20 0.36
FAAH O00519 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
SCHEMBL5435633 1.00 MMP8 (0.41) MMP8MMP3MMP9MMP1MMP2
SCHEMBL5437193 1.00 MMP8 (0.41) MMP8MMP3MMP9MMP1MMP2
SCHEMBL5439927 0.94 MMP1 (0.41) MMP3MMP9MMP1MMP2MMP14
SCHEMBL5439717 0.94 MMP1 (0.41) MMP3MMP9MMP1MMP2MMP14
SCHEMBL5437203 0.94 MMP1 (0.41) MMP3MMP9MMP1MMP2MMP14
SCHEMBL5441525 0.93 PSEN1 (0.38) MMP8MMP3PSEN1PSEN2APH1B
SCHEMBL5441314 0.91 MMP1 (0.41) MMP8MMP3MMP9MMP1MMP2
SCHEMBL5443107 0.89 MMP8 (0.40) MMP8MMP3MMP9MMP1MMP2
SCHEMBL5160889 0.89 MMP1 (0.45) MMP8MMP3MMP9MMP1MMP2
SCHEMBL5164149 0.89 MMP1 (0.45) MMP8MMP3MMP9MMP1MMP2

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 3/4885MMP9 1/4885

“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.