SCHEMBL1491439

SCHEMBL1491439

O=C(Cc1ccc(OCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1)Nc1ccc2sc(C(=O)NO)cc2c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.65
ITGB3 P05106 5/20 0.52
ITGA2B P08514 5/20 0.52
HDAC8 Q9BY41 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47

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
SCHEMBL12673064 0.93 HDAC1 (0.61) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL1491583 0.88 HDAC1 (0.56) HDAC1ITGB3ITGA2BHDAC8HDAC3
SCHEMBL12660767 0.81 HDAC1 (0.46) HDAC1ITGB3ITGA2BHDAC8HDAC3
SCHEMBL1893680 0.80 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL8259003 0.79 HDAC1 (0.60) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL12672779 0.78 HDAC1 (0.43) HDAC1ITGB3ITGA2BHDAC8HDAC3
SCHEMBL8260320 0.78 HDAC1 (0.67) HDAC1
SCHEMBL8260770 0.77 HDAC1 (0.63) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL8255855 0.76 HDAC1 (0.61) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL5805384 0.76 HDAC1 (0.61) HDAC1HDAC8HDAC3HDAC4HDAC7

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 EP disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 EP disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 HDAC1 1/4885ITGB3 2878/4885ITGA2B 2142/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 HDAC1 5/4885ITGB3 1221/4885ITGA2B 2369/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 HDAC1 9/4885ITGB3 968/4885ITGA2B 1999/4885

“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.