SCHEMBL1410862

SCHEMBL1410862

CC(C)C[C@H](NCCc1ccc(/C=C/C(=O)NO)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.51
HDAC3 O15379 4/20 0.51
HDAC2 Q92769 5/20 0.49
HDAC1 Q13547 5/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
NOS2 P35228 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
MMP1 P03956 2/20 0.45
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL1410866 1.00 HDAC6 (0.51) HDAC6HDAC3HDAC2HDAC1HDAC8
SCHEMBL1410865 1.00 HDAC6 (0.51) HDAC6HDAC3HDAC2HDAC1HDAC8
SCHEMBL1410257 0.88 HDAC3 (0.56) HDAC6HDAC3HDAC2HDAC1HDAC8
SCHEMBL1410908 0.88 HDAC3 (0.56) HDAC6HDAC3HDAC2HDAC1HDAC8
SCHEMBL1410253 0.88 HDAC3 (0.56) HDAC6HDAC3HDAC2HDAC1HDAC8
SCHEMBL1410913 0.88 HDAC3 (0.56) HDAC6HDAC3HDAC2HDAC1HDAC8
SCHEMBL1411144 0.85 MAPK14 (0.49) HDAC6HDAC3HDAC2HDAC1HDAC8
SCHEMBL19723056 0.85 MAPK14 (0.49) HDAC6HDAC3HDAC2HDAC1HDAC8
SCHEMBL1411148 0.85 MAPK14 (0.49) HDAC6HDAC3HDAC2HDAC1HDAC8
SCHEMBL1411146 0.85 MAPK14 (0.49) HDAC6HDAC3HDAC2HDAC1HDAC8

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 HDAC6 10/4885HDAC3 2/4885HDAC2 3/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HDAC6 10/4885HDAC3 2/4885HDAC2 3/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 HDAC6 11/4885HDAC3 5/4885HDAC2 3/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HDAC6 10/4885HDAC3 2/4885HDAC2 3/4885

“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.