SCHEMBL3463311

SCHEMBL3463311

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CTSL P07711 1/20 0.47
MMP1 P03956 3/20 0.47
MMP3 P08254 3/20 0.47
MMP2 P08253 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
F7 P08709 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL11271369 0.85 MEN1 (0.52) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL13434089 0.81 KMT2A (0.77) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL9329102 0.80 MMP1 (0.52) MEN1KMT2AALDH1A1LMNAMMP1
SCHEMBL3463258 0.79 ALDH1A1 (0.60) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL7378945 0.79 MEN1 (0.48) MEN1KMT2AMMP1MMP3MMP2
SCHEMBL11485324 0.79 KMT2A (0.46) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL3039559 0.78 NR4A2 (0.55) MEN1KMT2AALDH1A1MMP1MMP3
SCHEMBL7372235 0.78 NR4A2 (0.55) MEN1KMT2AALDH1A1MMP1MMP3
Hydrochloric Acid SCHEMBL3046435 0.77 NR4A2 (0.54) MEN1KMT2AALDH1A1MMP1MMP3
SCHEMBL16353444 0.77 LTB4R2 (0.55) MEN1KMT2AALDH1A1LMNAPOLB

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 MEN1 3761/4885KMT2A 47/4885ALDH1A1 626/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 MEN1 3760/4885KMT2A 48/4885ALDH1A1 634/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 MEN1 3441/4885KMT2A 32/4885ALDH1A1 638/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 MEN1 3761/4885KMT2A 47/4885ALDH1A1 626/4885

“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.