SCHEMBL1491479

SCHEMBL1491479

CC(C)(C)OC(=O)NC(C(=O)OC1CCCC1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.45
EPHX1 P07099 4/20 0.45
AAK1 Q2M2I8 4/20 0.43
GAA P10253 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
BTK Q06187 1/20 0.40
CTSL P07711 1/20 0.36

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
SCHEMBL1491478 1.00 CACNA1B (0.45) CACNA1BEPHX1AAK1GAAHDAC4
SCHEMBL1372066 0.87 AAK1 (0.48) CACNA1BEPHX1AAK1GAAHDAC4
SCHEMBL1372065 0.87 AAK1 (0.48) CACNA1BEPHX1AAK1GAAHDAC4
SCHEMBL21904477 0.87 AAK1 (0.48) CACNA1BEPHX1AAK1GAAHDAC4
SCHEMBL24103813 0.85 AAK1 (0.49) CACNA1BEPHX1AAK1GAAHDAC4
SCHEMBL29090746 0.85 AAK1 (0.49) CACNA1BEPHX1AAK1GAAHDAC4
SCHEMBL30878159 0.85 AAK1 (0.49) CACNA1BEPHX1AAK1GAAHDAC4
SCHEMBL28854870 0.82 CACNA1B (0.47) CACNA1BEPHX1GAAHDAC4HDAC1
SCHEMBL23270360 0.82 CACNA1B (0.47) CACNA1BEPHX1GAAHDAC4HDAC1
SCHEMBL5322434 0.82 CACNA1B (0.47) CACNA1BEPHX1GAAHDAC4HDAC1

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-2013175-B9 p38 MAP KINASE INHIBITORS MACROPHAGE PHARMA LTD (GB) 2020-11-11 EP disclosed
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-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
EP-1879895-B1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-06-08 EP 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
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

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 CACNA1B 4367/4885EPHX1 2631/4885AAK1 2891/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 CACNA1B 3073/4885EPHX1 605/4885AAK1 4545/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 CACNA1B 3503/4885EPHX1 1410/4885AAK1 801/4885

“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.