SCHEMBL3464086

SCHEMBL3464086

CCC(=O)N(Cc1ccccc1)[C@H](C(=O)O)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
RIPK1 Q13546 2/20 0.44
HTT P42858 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
OPRM1 P35372 1/20 0.39

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
SCHEMBL13859223 0.87 MEN1 (0.51) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL3463258 0.80 ALDH1A1 (0.60) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL29623887 0.79 RIPK1 (0.46) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL13434089 0.79 KMT2A (0.77) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL28515137 0.78 LMNA (0.47) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL17393246 0.78 LMNA (0.47) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL737633 0.75 MEN1 (0.49) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL3462963 0.75 LMNA (0.57) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL3463311 0.75 MEN1 (0.53) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL15855771 0.74 KMT2A (0.47) ALDH1A1L3MBTL1LMNAPOLBHSD17B10

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-9725407-B2 HDAC inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-08 US disclosed
US-20160137594-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2016-05-19 US disclosed
US-9273003-B2 Methods of treating lymphoma and rheumatoid arthritis with cyclopentyl (2S)-cyclohexyl[({6-[3-(hydroxyamino)-3-oxopropyl]pyridin-3-yl}methyl)amino]acetate GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-01 US disclosed
US-20140323531-A1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2014-10-30 US disclosed
US-8637547-B2 Compounds which inhibit members of the histone deacetylase family of enzymes and their use in the treatment of cell proliferative diseases CHROMA THERAPEUTICS LTD. (GB) 2014-01-28 US disclosed
US-20130197042-A1 HDAC INHIBITORS CHROMA THERAPEUTCS, LTD 2013-08-01 US disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 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 (4 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-20140323531-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 ALDH1A1 626/4885L3MBTL1 765/4885LMNA 587/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 ALDH1A1 634/4885L3MBTL1 757/4885LMNA 573/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 ALDH1A1 638/4885L3MBTL1 453/4885LMNA 319/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 ALDH1A1 626/4885L3MBTL1 765/4885LMNA 587/4885

“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.