SCHEMBL3463258

SCHEMBL3463258

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
LMNA P02545 2/20 0.60
POLB P06746 1/20 0.60
HSD17B10 Q99714 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
AGTR1 P30556 2/20 0.47
ABCB11 O95342 1/20 0.47
GP6 Q9HCN6 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
MMP2 P08253 3/20 0.47
MMP9 P14780 3/20 0.47
MMP8 P22894 2/20 0.47
MMP13 P45452 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 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
SCHEMBL3462963 0.88 LMNA (0.57) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL20658122 0.87 LMNA (0.58) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL13434089 0.83 KMT2A (0.77) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL1885056 0.83 ALDH1A1 (0.54) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL3464086 0.80 ALDH1A1 (0.51) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL3463311 0.79 MEN1 (0.53) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL5274624 0.78 MMP9 (0.52) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL5274618 0.78 MMP9 (0.52) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL4457923 0.77 AGTR1 (0.51) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL7780731 0.77 MMP2 (0.55) ALDH1A1LMNAPOLBHSD17B10L3MBTL1

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 626/4885LMNA 587/4885POLB 1673/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 ALDH1A1 634/4885LMNA 573/4885POLB 1667/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 ALDH1A1 638/4885LMNA 319/4885POLB 1004/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 ALDH1A1 626/4885LMNA 587/4885POLB 1673/4885

“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.