SCHEMBL3537108

SCHEMBL3537108

NC(=O)C1(C(=O)O)c2ccc(OCCn3ccnc3)cc2CCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 10/20 0.41
▸ CACNA1B Q00975 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 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
SCHEMBL3536464 0.93 TBXAS1 (0.41) TBXAS1CACNA1BMEN1LMNAKMT2A
SCHEMBL3537912 0.84 PPARG (0.37) ALDH1A1KDM4E
SCHEMBL3538685 0.84 LCK (0.45) CACNA1BALDH1A1KDM4ESCN9A
SCHEMBL3535912 0.83 LSS (0.38) KMT2ASCN9A
SCHEMBL3536043 0.78 MMP1 (0.44) ALDH1A1
SCHEMBL1021791 0.77 TBXAS1 (0.46) TBXAS1CACNA1BMEN1LMNAKMT2A
SCHEMBL3534117 0.76 MMP1 (0.40) KMT2AALDH1A1
SCHEMBL1021792 0.76 TBXAS1 (0.44) TBXAS1CACNA1BMEN1LMNAKMT2A
SCHEMBL3538924 0.74 MMP1 (0.45) TBXAS1CACNA1BLMNAALDH1A1
SCHEMBL1022410 0.74 MMP1 (0.54) TBXAS1CACNA1BLMNA

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 121/4885CACNA1B 1218/4885MEN1 1149/4885

“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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