SCHEMBL5835014

SCHEMBL5835014

COc1ccc(-c2nc3cc(-c4ccc5c(c4)OCO5)ccc3o2)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 2/20 0.56
▸ HDAC6 Q9UBN7 2/20 0.52
▸ ALOX5 P09917 1/20 0.51
▸ MAPT P10636 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 4/20 0.46
▸ SRC P12931 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ NR2E3 Q9Y5X4 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ PTGS2 P35354 1/20 0.42
▸ IDO1 P14902 1/20 0.42

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
SCHEMBL5834634 0.85 HPSE (0.59) HPSEHDAC6ALOX5MAPTTSHR
SCHEMBL5834515 0.85 ALOX5 (0.70) ALOX5MAPTNPC1RAB9AKDM4E
SCHEMBL5834409 0.82 ALOX5 (0.56) HPSEHDAC6ALOX5MAPTNPC1
SCHEMBL5834493 0.82 NPC1 (0.59) HPSEHDAC6ALOX5MAPTNPC1
SCHEMBL5834595 0.82 ALOX5 (0.67) HPSEALOX5MAPTNPC1RAB9A
SCHEMBL5834891 0.82 NPC1 (0.57) HPSEHDAC6ALOX5MAPTTSHR
SCHEMBL5835012 0.82 ALOX5 (0.48) HPSEALOX5MAPTNPC1RAB9A
SCHEMBL5834837 0.81 ALOX5 (0.55) HPSEALOX5MAPTNPC1RAB9A
SCHEMBL5834359 0.81 ALOX5 (0.55) HPSEHDAC6ALOX5MAPTNPC1
Ethane SCHEMBL5835083 0.81 PTGS2 (0.54) HPSEALOX5MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138425-B2 Phthalimide carboxylic acid derivatives OXFORD GLYCOSCIENCE (UK) LTD. (GB) 2006-11-21 — — US disclosed
US-20050203153-A1 Phthalimide carboxylic acid derivatives OXFORD GLYCOSCIENCE (UK) LTD. (GB) 2005-09-15 — — US disclosed
EP-1483261-A1 PHTHALIMIDE CARBOXYLIC ACID DERIVATIVES Oxford GlycoSciences (UK) Ltd, Attn: Mary Gadsden (GB) 2004-12-08 — — EP disclosed
WO-2003074516-A1 PHTHALIMIDE CARBOXYLIC ACID DERIVATIVES OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-09-12 — — 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-20050203153-A1 Phthalimide carboxylic acid derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, IDH1 HPSE 2626/4885HDAC6 15/4885ALOX5 1038/4885

“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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