SCHEMBL3532190

SCHEMBL3532190

NC(=O)C1(C(=O)O)c2c(Br)ccc(OCCN3CCCCC3)c2CCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.41
▸ HRH3 Q9Y5N1 5/20 0.39
▸ KCNH2 Q12809 4/20 0.39
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ MCHR1 Q99705 2/20 0.36
▸ CACNA1F O60840 2/20 0.36
▸ CACNA1D Q01668 2/20 0.36
▸ CACNA1S Q13698 2/20 0.36
▸ CACNA1C Q13936 2/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ ENPP3 O14638 1/20 0.35
▸ ENPP1 P22413 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL3537088 0.88 LTA4H (0.43) LTA4HHRH3KCNH2MCHR1KDM4E
SCHEMBL1021774 0.78 LTA4H (0.43) LTA4HHRH3KCNH2HTR2AHTR2C
SCHEMBL1021775 0.76 LTA4H (0.42) LTA4HHRH3KCNH2MCHR1KDM4E
SCHEMBL3536025 0.76 CACNA1F (0.41) LTA4HHRH3KCNH2CACNA1FCACNA1D
SCHEMBL1022044 0.75 MMP1 (0.46) LTA4HHRH3KCNH2MMP1MMP9
SCHEMBL3538685 0.74 LCK (0.45) HRH3KDM4EALDH1A1CACNA1B
SCHEMBL1021151 0.74 MMP1 (0.41) LTA4HHRH3KCNH2HTR2AHTR2C
SCHEMBL1020100 0.74 LTA4H (0.39) LTA4HHRH3KCNH2HTR2AHTR2C
SCHEMBL3536043 0.73 MMP1 (0.44) LTA4HHRH3KCNH2MCHR1ALDH1A1
SCHEMBL1020682 0.73 LTA4H (0.45) LTA4HHRH3KCNH2KDM4EMMP1

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 LTA4H 114/4885HRH3 681/4885KCNH2 2246/4885

“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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