SCHEMBL5834685

SCHEMBL5834685

CCS(=O)(=O)c1ccc(-c2ccc3oc(-c4ccc(OC)c(N)c4)nc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTRN P46939 3/20 0.55
CYP1A2 P05177 1/20 0.55
AHR P35869 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
ALOX5 P09917 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
MAOB P27338 1/20 0.48
SLC47A1 Q96FL8 1/20 0.48
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
PTPN2 P17706 2/20 0.44
PTPN1 P18031 2/20 0.44
PTPN5 P54829 2/20 0.44

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
SCHEMBL5834214 0.85 NPC1 (0.57) UTRNCYP1A2AHRHDAC6NPC1
SCHEMBL5834595 0.83 ALOX5 (0.67) NPC1RAB9AALOX5RXFP1KDM4E
SCHEMBL5834409 0.83 ALOX5 (0.56) UTRNHDAC6NPC1RAB9AALOX5
SCHEMBL5834493 0.83 NPC1 (0.59) HDAC6NPC1RAB9AALOX5KMT2A
SCHEMBL5834515 0.83 ALOX5 (0.70) NPC1RAB9AALOX5RXFP1KDM4E
SCHEMBL5834837 0.82 ALOX5 (0.55) UTRNNPC1RAB9AALOX5RXFP1
SCHEMBL5834359 0.82 ALOX5 (0.55) UTRNHDAC6NPC1RAB9AALOX5
Ethane SCHEMBL5835083 0.81 PTGS2 (0.54) NPC1RAB9AALOX5SMN1; SMN2MAPT
Dimethylamine SCHEMBL5834922 0.80 NPC1 (0.55) HDAC6NPC1RAB9AALOX5KMT2A
SCHEMBL5834921 0.80 NPC1 (0.60) NPC1RAB9AALOX5KMT2AMEN1

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 UTRN 4755/4885CYP1A2 352/4885AHR 174/4885

“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.