SCHEMBL1411240

SCHEMBL1411240

COC(=O)C=Cc1ccc(CCN[C@@H](CC(C)C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.47
MAPK14 Q16539 4/20 0.47
NOS3 P29474 4/20 0.44
NOS1 P29475 4/20 0.44
NOS2 P35228 4/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
KDM1A O60341 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA2 P00918 1/20 0.42
TYR P14679 1/20 0.42
MET P08581 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 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
SCHEMBL1411238 1.00 NR1H4 (0.47) NR1H4MAPK14NOS3NOS1NOS2
SCHEMBL1411239 1.00 NR1H4 (0.47) NR1H4MAPK14NOS3NOS1NOS2
SCHEMBL1411144 0.89 MAPK14 (0.49) MAPK14NOS3NOS1NOS2TAS1R3
SCHEMBL1411146 0.89 MAPK14 (0.49) MAPK14NOS3NOS1NOS2TAS1R3
SCHEMBL1411148 0.89 MAPK14 (0.49) MAPK14NOS3NOS1NOS2TAS1R3
SCHEMBL19723056 0.89 MAPK14 (0.49) MAPK14NOS3NOS1NOS2TAS1R3
SCHEMBL17752931 0.88 MAPK14 (0.46) NR1H4MAPK14NOS3NOS1NOS2
SCHEMBL12810019 0.88 NR1H4 (0.49) NR1H4MAPK14KDM1AHDAC8HDAC6
SCHEMBL13541956 0.74 NOS3 (0.45) NOS3NOS1NOS2TAS1R3TAS1R1
SCHEMBL1410862 0.74 HDAC6 (0.51) NOS3NOS1NOS2TAS1R3TAS1R1

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 9 patents. 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
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
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

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 NR1H4 723/4885MAPK14 2523/4885NOS3 1449/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 NR1H4 702/4885MAPK14 2558/4885NOS3 1489/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 NR1H4 1015/4885MAPK14 2154/4885NOS3 1260/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 NR1H4 723/4885MAPK14 2523/4885NOS3 1449/4885

“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.