SCHEMBL3536464

SCHEMBL3536464

COc1ccc(Oc2ccc(S(=O)(=O)N3CCc4cc(OCCn5ccnc5)ccc4C3(C(N)=O)C(=O)O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 13/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CACNA1B Q00975 1/20 0.38

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
SCHEMBL3537108 0.93 TBXAS1 (0.41) TBXAS1MEN1KMT2AALDH1A1LMNA
SCHEMBL3536043 0.85 MMP1 (0.44) ALDH1A1
SCHEMBL3534117 0.84 MMP1 (0.40) KMT2AALDH1A1
SCHEMBL3537912 0.80 PPARG (0.37) ALDH1A1KDM4E
SCHEMBL3535912 0.77 LSS (0.38) KMT2A
SCHEMBL1022853 0.77 MMP1 (0.53) TBXAS1MEN1KMT2AALDH1A1LMNA
SCHEMBL3538685 0.76 LCK (0.45) ALDH1A1KDM4ECACNA1B
SCHEMBL1022854 0.76 MMP1 (0.48) TBXAS1MEN1KMT2AALDH1A1ATM
SCHEMBL3534142 0.75 MMP1 (0.52) TBXAS1MEN1KMT2AALDH1A1LMNA
SCHEMBL1021988 0.74 MMP1 (0.63) —

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 TBXAS1 121/4885MEN1 1149/4885KMT2A 1806/4885

“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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