SCHEMBL10048032

SCHEMBL10048032

CN[C@H](CC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARA Q07869 6/20 0.37
PPARG P37231 5/20 0.37
CTSK P43235 4/20 0.34
CTSS P25774 3/20 0.34
ACE P12821 1/20 0.33
PPARD Q03181 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL12570554 1.00 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL13660687 1.00 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7871486 0.85 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL17995262 0.85 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL22398849 0.85 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL25272340 0.83 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL13710929 0.83 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL7268530 0.83 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL13711119 0.83 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL8486600 0.83 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107849-A1 COELENTERAZINE DERIVATIVES AND METHODS OF USING SAME JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2012-05-03 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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 (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-20120107849-A1 COELENTERAZINE DERIVATIVES AND METHODS OF USING SAME SI, CNDP2, PEPD CYP2D6 626/4885HDAC3 1128/4885HDAC1 865/4885

“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.