SCHEMBL3536043

SCHEMBL3536043

COc1ccc(Oc2ccc(S(=O)(=O)N3CCc4cc(OCCN5CCCCC5)ccc4C3(C(N)=O)C(=O)O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 4/20 0.44
▸ MMP9 P14780 4/20 0.44
▸ MMP13 P45452 4/20 0.44
▸ HRH3 Q9Y5N1 9/20 0.43
▸ ADAM17 P78536 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3534117 0.85 MMP1 (0.40) MMP1MMP9MMP13MAPTMCHR1
SCHEMBL3538685 0.84 LCK (0.45) HRH3ALDH1A1
SCHEMBL3537912 0.83 PPARG (0.37) MMP1MMP13ADAM17MAPTALDH1A1
SCHEMBL3537088 0.78 LTA4H (0.43) HRH3KCNH2LTA4HMCHR1
SCHEMBL3535912 0.78 LSS (0.38) HRH3MAPTLTA4H
SCHEMBL3537108 0.78 TBXAS1 (0.41) ALDH1A1
SCHEMBL1023173 0.75 MMP1 (0.56) MMP1MMP9MMP13HRH3POLB
SCHEMBL1023175 0.74 ESR1 (0.55) MMP1MMP9HRH3POLBMAPT
SCHEMBL3532190 0.73 LTA4H (0.41) MMP1MMP9MMP13HRH3POLB
SCHEMBL3535505 0.73 MMP1 (0.55) MMP1MMP9MMP13HRH3ADAM17

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-7858619-B2 Substituted tetrahydroisochinolines as MMP inhibitors, related production method and use as medicine SANOFI-AVENTIS (FR) 2010-12-28 — — US disclosed
US-20080090821-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE SANOFI-AVENTIS (FR) 2008-04-17 — — 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-20080090821-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE MMP9, MMP3, MMP2 MMP1 9/4885MMP9 1/4885MMP13 8/4885

“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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