SCHEMBL4593428

SCHEMBL4593428

COc1ccc(S(=O)(=O)c2ccc(OC)c3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.55
HTR6 P50406 1/20 0.50
MMP2 P08253 8/20 0.49
MMP12 P39900 8/20 0.49
MMP8 P22894 7/20 0.49
MMP13 P45452 7/20 0.49
MMP14 P50281 7/20 0.49
MMP16 P51512 7/20 0.49
MMP9 P14780 7/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.48
KEAP1 Q14145 2/20 0.48
SQSTM1 Q13501 1/20 0.48
NFE2L2 Q16236 1/20 0.48
GAA P10253 1/20 0.47
MMP3 P08254 4/20 0.46
MMP1 P03956 3/20 0.46
ADAM17 P78536 1/20 0.46
MAPK1 P28482 1/20 0.45
FABP4 P15090 1/20 0.45

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
SCHEMBL8509876 0.86 GAA (0.50) PKMHTR6ALDH1A1NPC1GAA
SCHEMBL14030697 0.83 GAA (0.60) PKMMMP2MMP12MMP8MMP13
SCHEMBL931939 0.80 HTR6 (0.77) PKMHTR6MMP2MMP12MMP8
SCHEMBL1415941 0.77 ALDH1A1 (0.54) ALDH1A1NPC1KEAP1NFE2L2GAA
SCHEMBL30493510 0.77 ALDH1A1 (0.54) ALDH1A1NPC1KEAP1NFE2L2GAA
Potassium Ion SCHEMBL13719096 0.77 ALDH1A1 (0.54) ALDH1A1NPC1KEAP1NFE2L2GAA
SCHEMBL2568338 0.77 ALDH1A1 (0.54) ALDH1A1NPC1KEAP1NFE2L2GAA
SCHEMBL31425582 0.77 ALDH1A1 (0.54) ALDH1A1NPC1KEAP1NFE2L2GAA
SCHEMBL30855487 0.76 ALDH1A1 (0.56) ALDH1A1NPC1GAAMAPK1FABP4
SCHEMBL15461561 0.76 ALDH1A1 (0.56) ALDH1A1NPC1GAAMAPK1FABP4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-10-16 US claimed
EP-1937243-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-07-02 EP claimed
WO-2007045593-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-04-26 WO claimed
US-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-10-16 US disclosed
US-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-10-16 US disclosed
US-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-10-16 US disclosed
EP-1937243-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-07-02 EP disclosed
WO-2007045593-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-04-26 WO disclosed
WO-2007045593-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-04-26 WO disclosed
US-4996279-A Crosslinked epoxies from diepoxides, diphenols, primary and secondary amines with stiff and flexible units; melt processability SHELL OIL COMPANY (US) 1991-02-26 US disclosed
US-4960912-A EPOXY RESINS, POLYEPOXDIES SHELL OIL COMPANY (US) 1990-10-02 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-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation APP, BACE1, SNCA PKM 3038/4885HTR6 2660/4885MMP2 1627/4885

“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.