SCHEMBL3536025

SCHEMBL3536025

CCOC(=O)C1c2c(Br)ccc(OCCN3CCCCC3)c2CCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1F O60840 5/20 0.41
▸ CACNA1D Q01668 5/20 0.41
▸ CACNA1S Q13698 5/20 0.41
▸ CACNA1C Q13936 5/20 0.41
▸ KCNH2 Q12809 4/20 0.41
▸ LTA4H P09960 1/20 0.40
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ MMP1 P03956 3/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ ADAM17 P78536 1/20 0.37
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL1021774 0.90 LTA4H (0.43) KCNH2LTA4HESR1ESR2MMP1
SCHEMBL1022044 0.89 MMP1 (0.46) KCNH2LTA4HMMP1MMP3MMP7
SCHEMBL1020100 0.88 LTA4H (0.39) CACNA1FCACNA1DCACNA1SCACNA1CKCNH2
SCHEMBL1021775 0.84 LTA4H (0.42) KCNH2LTA4HESR1ESR2MMP1
SCHEMBL3539228 0.83 MMP1 (0.43) KCNH2MMP1MMP3MMP7ADAM17
SCHEMBL1021151 0.83 MMP1 (0.41) KCNH2LTA4HESR1ESR2MMP1
SCHEMBL5175084 0.79 ESR1 (0.42) KCNH2LTA4HESR1ESR2MMP1
SCHEMBL1020682 0.78 LTA4H (0.45) KCNH2LTA4HESR1ESR2MMP1
SCHEMBL1020936 0.78 MMP1 (0.47) LTA4HESR1ESR2MMP1MMP3
SCHEMBL3532190 0.76 LTA4H (0.41) CACNA1FCACNA1DCACNA1SCACNA1CKCNH2

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 CACNA1F 1210/4885CACNA1D 1511/4885CACNA1S 812/4885

“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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