SCHEMBL4493359

SCHEMBL4493359

CC(=O)OC(=O)c1ccc(C(C)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
HPGD P15428 3/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
HSD17B1 P14061 1/20 0.46
GAA P10253 1/20 0.45
STS P08842 1/20 0.44
MAPK1 P28482 2/20 0.43
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 1/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 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
SCHEMBL123279 0.93 TSHR (0.47) MAPTHPGDRAB9ALMNAKMT2A
SCHEMBL775791 0.90 MAPT (0.58) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL28187657 0.86 MAPT (0.54) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL21628314 0.84 TSHR (0.55) MAPTHPGDRAB9AL3MBTL1KMT2A
Butane SCHEMBL9255844 0.84 TSHR (0.47) MAPTHPGDRAB9ALMNASMN1; SMN2
SCHEMBL8030701 0.84 CA12 (0.61) MAPTHPGDRAB9ALMNAKMT2A
SCHEMBL776223 0.84 TDP1 (0.61) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL775792 0.82 SMN1; SMN2 (0.59) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL6444130 0.82 ALDH1A1 (0.52) MAPTHPGDRAB9AL3MBTL1KMT2A
SCHEMBL777113 0.82 RAB9A (0.50) MAPTRAB9AKMT2ASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488832-B2 e.g. N-[amino(imino)methyl]-2-[2-(4-phenoxyphenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide; beta -amyloid deposits and neurofibrillary tangles; cognition activator, neurodegenerative diseases; Alzheimer's disease, Down's syndrome WYETH (US) 2009-02-10 US disclosed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US disclosed
EP-1848692-A1 AZOLYLACYLGUANIDINES AS ß-SECRETASE INHIBITORS Wyeth (US) 2007-10-31 EP disclosed
WO-2006088711-A1 AZOLYLACYLGUANIDINES AS β-SECRETASE INHIBITORS WYETH (US) 2006-08-24 WO disclosed
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors WYETH (US) 2006-08-17 US disclosed
EP-1215216-B1 Cellulose ester of aromatic carboxylic acid FUJI PHOTO FILM CO LTD (JP) 2005-07-27 EP disclosed
EP-1215216-A1 Cellulose ester of aromatic carboxylic acid FUJI PHOTO FILM CO., LTD. (JP) 2002-06-19 EP 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 (2 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-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS BACE1, BACE2, APP MAPT 30/4885HPGD 2234/4885RAB9A 1611/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP MAPT 30/4885HPGD 2234/4885RAB9A 1611/4885

“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.