SCHEMBL5438666

SCHEMBL5438666

COc1ccc(Oc2ccc(S(=O)(=O)N3CCc4cc(O)ccc4C3OC(N)=O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 7/20 0.63
▸ MMP2 P08253 7/20 0.63
▸ MMP9 P14780 7/20 0.63
▸ MMP12 P39900 7/20 0.63
▸ MMP14 P50281 7/20 0.63
▸ MMP15 P51511 7/20 0.63
▸ MMP16 P51512 7/20 0.63
▸ MMP26 Q9NRE1 7/20 0.63
▸ TAS2R14 Q9NYV8 2/20 0.51
▸ MMP7 P09237 4/20 0.50
▸ MMP8 P22894 4/20 0.48
▸ MMP3 P08254 2/20 0.48
▸ ESR1 P03372 3/20 0.45
▸ ESR2 Q92731 3/20 0.45
▸ CA1 P00915 4/20 0.44
▸ CA2 P00918 4/20 0.44
▸ CA9 Q16790 4/20 0.44
▸ CA14 Q9ULX7 4/20 0.44
▸ CA7 P43166 3/20 0.44
▸ CA12 O43570 1/20 0.43

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
SCHEMBL1020024 0.90 MMP1 (0.66) MMP1MMP2MMP9MMP12MMP14
SCHEMBL5164250 0.89 MMP1 (0.69) MMP1MMP2MMP9MMP12MMP14
SCHEMBL5435855 0.88 TAS2R14 (0.51) MMP1MMP2MMP9MMP12MMP14
SCHEMBL5448028 0.85 MMP1 (0.44) MMP1MMP2MMP9MMP12MMP14
SCHEMBL1021877 0.83 MMP1 (0.56) MMP1MMP2MMP9MMP12MMP14
SCHEMBL3534852 0.82 MMP1 (0.77) MMP1MMP2MMP9MMP12MMP14
SCHEMBL5437354 0.80 MMP1 (0.46) MMP1TAS2R14MMP8MMP3
SCHEMBL5430793 0.80 MMP8 (0.52) MMP1MMP2MMP9MMP12MMP14
SCHEMBL4692409 0.79 TAS2R14 (0.54) MMP1MMP2MMP9MMP12MMP14
SCHEMBL5443161 0.78 THRB (0.49) MMP1MMP2MMP9TAS2R14MMP7

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 MMP1 8/4885MMP2 2/4885MMP9 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.

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