SCHEMBL3335935

SCHEMBL3335935

COc1ccc2[nH]cc(-c3c(C(=O)O)n(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ PSEN1 P49768 1/20 0.46
▸ PSEN2 P49810 1/20 0.46
▸ APH1B Q8WW43 1/20 0.46
▸ NCSTN Q92542 1/20 0.46
▸ APH1A Q96BI3 1/20 0.46
▸ PSENEN Q9NZ42 1/20 0.46
▸ HTR6 P50406 6/20 0.46
▸ AGTR1 P30556 3/20 0.44
▸ GAA P10253 2/20 0.42
▸ PDE4B Q07343 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ NPC1 O15118 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
SCHEMBL5434539 0.88 AGTR1 (0.51) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL3331994 0.76 HTR6 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8188816 0.75 AGTR1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17521582 0.75 PCSK9 (0.62) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL14595058 0.74 L3MBTL1 (0.63) HTR6AGTR1KDM4E
SCHEMBL1778448 0.73 MAPT (0.46) MAPTHTR6GAAPDE4BMEN1
SCHEMBL1779448 0.72 MAPT (0.48) MAPTHTR6GAAPDE4BMEN1
SCHEMBL1779946 0.71 MAPT (0.46) MAPTHTR6GAAPDE4BMEN1
SCHEMBL4040857 0.71 MAPT (0.57) MAPTGAAMEN1KMT2APOLB
SCHEMBL1777566 0.71 MAPT (0.45) MAPTPSEN1PSEN2APH1BNCSTN

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
EP-2113012-B1 METHOD FOR PRODUCING THE PIGMENT RED 149 BASF SE (DE) 2012-08-29 — — EP claimed
EP-2113012-A2 METHOD FOR PRODUCING THE PIGMENT RED 149 BASF SE (DE) 2009-11-04 — — EP claimed
WO-2008101895-A2 METHOD FOR PRODUCING THE PIGMENT RED 149 BASF SE (DE) 2008-08-28 — — WO claimed
US-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 — — US disclosed
US-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 — — US disclosed
US-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 — — US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 — — US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 — — US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 — — US disclosed
EP-2081892-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS Queen's University at Kingston (CA) 2009-07-29 — — EP disclosed
WO-2008058402-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-05-22 — — WO 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-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS SNCA, MAPT, APP MAPT 2/4885PSEN1 6/4885PSEN2 7/4885

“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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