SCHEMBL1411328

SCHEMBL1411328

O=C(O)CCc1ccc(CN2CCN(C(=O)OCc3ccccc3)C(C(=O)OC3CCCC3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44
PREP P48147 3/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
BCHE P06276 2/20 0.41
MAOB P27338 1/20 0.41
CTRB1 P17538 1/20 0.41
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
FFAR1 O14842 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AGTR2 P50052 1/20 0.40

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
SCHEMBL12810017 0.91 KLK7 (0.42) KLK7KLK5PREPCYP3A4MAPT
SCHEMBL1410964 0.83 TSHR (0.39) KLK7KLK5PREPCYP3A4MAPT
SCHEMBL3783660 0.82 KLK7 (0.47) KLK7KLK5PREPTSHRCTRB1
SCHEMBL13227744 0.80 TMEM97 (0.49) KLK7KLK5PREPTSHRCTRB1
SCHEMBL13227739 0.80 TMEM97 (0.52) KLK7KLK5PREPTSHRNPSR1
SCHEMBL3782792 0.76 KLK7 (0.50) KLK7KLK5PREPTSHRNPSR1
SCHEMBL13261139 0.75 PDE4B (0.46) KLK7KLK5PREPTSHRNPSR1
SCHEMBL9965340 0.74 PARP1 (0.53) KLK7KLK5PREPRAB9A
SCHEMBL28003378 0.74 PARP1 (0.53) KLK7KLK5PREPRAB9A
SCHEMBL375940 0.74 KLK7 (0.50) KLK7KLK5PREPTSHRRAB9A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069291-B1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2017-12-20 EP disclosed
EP-2069291-B1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2017-12-20 EP disclosed
US-9725407-B2 HDAC inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-08 US disclosed
US-9725407-B2 HDAC inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-08 US disclosed
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-20160137594-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2016-05-19 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-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-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-20130197042-A1 HDAC INHIBITORS CHROMA THERAPEUTCS, LTD 2013-08-01 US disclosed
US-20130197042-A1 HDAC INHIBITORS CHROMA THERAPEUTCS, LTD 2013-08-01 US disclosed
EP-2295410-A1 HDAC inhibitor Chroma Therapeutics Limited (GB) 2011-03-16 EP disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US disclosed
EP-2069291-A1 HDAC INHIBITORS Chroma Therapeutics Limited (GB) 2009-06-17 EP disclosed
WO-2008040934-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2008-04-10 WO 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 (3 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-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 KLK7 3876/4885KLK5 3941/4885PREP 703/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 KLK7 4067/4885KLK5 4442/4885PREP 3021/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 KLK7 3883/4885KLK5 3942/4885PREP 699/4885

“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.