SCHEMBL1193477

SCHEMBL1193477

CC(C)(C)OC(=O)N(C=O)CCCN

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL22154645 0.84 CA14 (0.36) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL9535145 0.83 HDAC6 (0.35) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL5460363 0.78 CA14 (0.53) HDAC6HDAC1HDAC2CA14MAOA
SCHEMBL31324971 0.77 CA14 (0.51) HDAC6HDAC1HDAC2CA14
SCHEMBL55404 0.77 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL1274075 0.77 CA14 (0.55) HDAC6HDAC1HDAC2CA14
SCHEMBL25719038 0.76 MAPT (0.35) HDAC6HDAC1HDAC2CA14
SCHEMBL9537778 0.76 CTSK (0.34) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL2836031 0.76 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL10226299 0.75 CA14 (0.54) HDAC6HDAC1HDAC2CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034514-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 US disclosed
US-7834037-B2 1,3,5-Substituted indole derivatives, e.g., 3-[3-tert-butylthio-1-[4-(6-methoxypyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-indol-2-yl]-2,2-dimethyl-propionic acid; used alone and in combination with other compounds for treating leukotriene-dependent diseases such as respiratory and cardiovascular AMIRA PHARMACEUTICALS, INC. (US) 2010-11-16 US disclosed
US-20090018170-A1 1,3,5-Substituted indole derivatives, e.g., 3-[3-tert-butylthio-1-[4-(6-methoxypyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-indol-2-yl]-2,2-dimethyl-propionic acid; used alone and in combination with other compounds for treating leukotriene-dependent diseases such as respiratory and cardiovascular AMIRA PHARMACEUTICALS, INC. (US) 2009-01-15 US disclosed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 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 (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-20090018170-A1 1,3,5-Substituted indole derivatives, e.g., 3-[3-tert-butylthio-1-[4-(6-methoxypyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-indol-2-yl]-2,2-dimethyl-propionic acid; used alone and in combination with other compounds for treating leukotriene-dependent diseases such as respiratory and cardiovascular LTC4S, ALOX5, LTA4H HDAC6 3802/4885HDAC1 2373/4885HDAC2 2076/4885
US-20110034514-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors ALOX5, ALOX15B, ALOX15 HDAC6 3940/4885HDAC1 2525/4885HDAC2 3233/4885
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 HDAC6 3940/4885HDAC1 2525/4885HDAC2 3233/4885

“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.