SCHEMBL3538685

SCHEMBL3538685

NC(=O)C1(C(=O)O)c2ccc(OCCN3CCOCC3)cc2CCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.45
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ MAPK14 Q16539 5/20 0.43
▸ ABHD6 Q9BV23 1/20 0.41
▸ EPHX2 P34913 2/20 0.41
▸ CACNA1B Q00975 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SCN9A Q15858 1/20 0.39

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
SCHEMBL3537912 0.86 PPARG (0.37) KDM4EALDH1A1SMN1; SMN2
SCHEMBL3536043 0.84 MMP1 (0.44) ALDH1A1HRH3
SCHEMBL3537108 0.84 TBXAS1 (0.41) CACNA1BKDM4EALDH1A1SCN9A
SCHEMBL3535912 0.83 LSS (0.38) LCKADORA2AADORA1HRH3SCN9A
SCHEMBL3537088 0.79 LTA4H (0.43) CACNA1BKDM4ESMN1; SMN2HRH3
SCHEMBL3534117 0.76 MMP1 (0.40) LCKCA1CA2CA7CA9
SCHEMBL1022529 0.76 ESR1 (0.47) LCKCA12CA1CA2CA7
SCHEMBL1022530 0.75 ESR1 (0.47) LCKCA12CA1CA2CA7
SCHEMBL3532190 0.74 LTA4H (0.41) CACNA1BKDM4EALDH1A1HRH3
SCHEMBL3536835 0.72 MMP1 (0.47) CA12CA1CA2CA7CA9

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 LCK 4811/4885CA12 2118/4885CA1 1120/4885

“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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