SCHEMBL3457241

SCHEMBL3457241

CC(C)COC(C)ONC(=O)/C=C/c1ccc(OCCCN[C@H](C(=O)O)C2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 2/20 0.38
KDM1A O60341 2/20 0.37
METAP2 P50579 1/20 0.37
RAB9A P51151 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL3457248 1.00 TAS1R3 (0.39) TAS1R3TAS1R1SMN1; SMN2KMT2AKDM1A
SCHEMBL13539401 0.90 TAS1R3 (0.37) TAS1R3TAS1R1SMN1; SMN2KMT2AKDM1A
SCHEMBL12810080 0.89 TAS1R3 (0.36) TAS1R3TAS1R1SMN1; SMN2KMT2AKDM1A
SCHEMBL1410887 0.85 ITGB3 (0.46) SMN1; SMN2KMT2AKDM1ARAB9AMAPT
SCHEMBL1410894 0.85 ITGB3 (0.46) SMN1; SMN2KMT2AKDM1ARAB9AMAPT
SCHEMBL1410826 0.84 TAS1R3 (0.36) TAS1R3TAS1R1SMN1; SMN2KMT2AKDM1A
SCHEMBL3457451 0.84 HDAC3 (0.49) SMN1; SMN2KMT2ARAB9AHRH3HTT
SCHEMBL3457444 0.84 HDAC3 (0.49) SMN1; SMN2KMT2ARAB9AHRH3HTT
SCHEMBL1410824 0.83 TAS1R3 (0.39) TAS1R3TAS1R1SMN1; SMN2KMT2AKDM1A
SCHEMBL1410827 0.83 TAS1R3 (0.39) TAS1R3TAS1R1SMN1; SMN2KMT2AKDM1A

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 10 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
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 (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 TAS1R3 4609/4885TAS1R1 4073/4885SMN1; SMN2 3274/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 TAS1R3 4597/4885TAS1R1 4013/4885SMN1; SMN2 3277/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 TAS1R3 4105/4885TAS1R1 3431/4885SMN1; SMN2 2343/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 TAS1R3 4609/4885TAS1R1 4073/4885SMN1; SMN2 3274/4885

“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.