SCHEMBL23624919

SCHEMBL23624919

NCC(=O)C1CCCCCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
PEPD P12955 1/20 0.45
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
EPHX1 P07099 2/20 0.40
HSD11B1 P28845 1/20 0.37
CYP2D6 P10635 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NOS2 P35228 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL15592454 1.00 CES2 (0.50) CES2CES1PEPDHDAC8HDAC6
SCHEMBL1596608 1.00 CES2 (0.50) CES2CES1PEPDHDAC8HDAC6
SCHEMBL18811572 1.00 CES2 (0.50) CES2CES1PEPDHDAC8HDAC6
SCHEMBL21163738 1.00 CES2 (0.50) CES2CES1PEPDHDAC8HDAC6
SCHEMBL11302539 1.00 CES2 (0.50) CES2CES1PEPDHDAC8HDAC6
SCHEMBL23571633 1.00 CES2 (0.50) CES2CES1PEPDHDAC8HDAC6
Hydrochloric Acid SCHEMBL923332 0.97 PEPD (0.48) CES2CES1PEPDHDAC8HDAC6
SCHEMBL734214 0.97
Hydrochloric Acid SCHEMBL22343933 0.95 PEPD (0.50) CES2CES1PEPDHDAC8HDAC6
SCHEMBL2468570 0.86

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-20210205277-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2021-07-08 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-20210205277-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 CES2 2806/4885CES1 2189/4885PEPD 4592/4885

“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.