SCHEMBL16282941

SCHEMBL16282941

COC(=O)[C@H](CC(=O)O)CC(=O)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.64
PLOD2 O00469 2/20 0.54
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 4/20 0.48
NPC1 O15118 1/20 0.48
PLOD3 O60568 1/20 0.46
PLOD1 Q02809 1/20 0.46
APP P05067 1/20 0.45
GAA P10253 1/20 0.45
HCAR3 P49019 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 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
SCHEMBL16281904 1.00 KMT2A (0.64) KMT2APLOD2ALDH1A1MEN1NPC1
SCHEMBL13471429 0.86 KMT2A (0.56) KMT2APLOD2ALDH1A1MEN1PLOD3
SCHEMBL16282942 0.84 TSHR (0.59) PLOD2ALDH1A1PLOD3PLOD1APP
SCHEMBL29041154 0.79 KMT2A (1.00) KMT2AALDH1A1MEN1NPC1LMNA
SCHEMBL27728362 0.79 PLOD2 (0.57) PLOD2ALDH1A1PLOD3PLOD1APP
Niacin SCHEMBL810760 0.78 ALDH1A1 (0.57) KMT2APLOD2ALDH1A1MEN1APP
SCHEMBL16131106 0.77 ALDH1A1 (0.57) KMT2APLOD2ALDH1A1MEN1APP
SCHEMBL16131667 0.77 ALDH1A1 (0.57) KMT2APLOD2ALDH1A1MEN1APP
SCHEMBL16281902 0.76 TSHR (0.56) KMT2APLOD2ALDH1A1PLOD3PLOD1
SCHEMBL28053583 0.75 PLOD2 (0.56) KMT2APLOD2ALDH1A1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364457-A1 COMPOSITIONS FOR REDUCING AB 42 PRODUCTION AND THEIR USE IN TREATING ALZHEIMER'S DISEASE (AD) KAREUS THERAPEUTICS, SA (CH) 2014-12-11 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-20140364457-A1 COMPOSITIONS FOR REDUCING AB 42 PRODUCTION AND THEIR USE IN TREATING ALZHEIMER'S DISEASE (AD) PSEN2, APP, PSEN1 KMT2A 3121/4885PLOD2 3373/4885ALDH1A1 2084/4885

“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.