SCHEMBL5402224

SCHEMBL5402224

CC(O)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CA1 P00915 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 2/20 0.35
CA7 P43166 2/20 0.34
CYP2D6 P10635 1/20 0.34
CPB2 Q96IY4 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL21877076 0.83 CA14 (0.39) MAPK1HDAC6HDAC1HDAC2CA1
SCHEMBL19246067 0.82 CA14 (0.36) MAPK1HDAC6HDAC1HDAC2CA1
SCHEMBL6687835 0.82 HDAC6 (0.39) HDAC6HDAC1HDAC2CA1CA14
SCHEMBL8341453 0.82 HDAC6 (0.35) HDAC6HDAC1HDAC2CA1CA14
SCHEMBL20215933 0.82 MAPK1 (0.35) MAPK1HDAC6HDAC1HDAC2CA1
SCHEMBL23134818 0.82 MAPK1 (0.35) MAPK1HDAC6HDAC1HDAC2CA1
SCHEMBL18290052 0.80 MAPK1 (0.34) MAPK1HDAC6HDAC1HDAC2CA1
SCHEMBL7997176 0.80 MEN1 (0.35) HDAC6HDAC1HDAC2CA1CA14
SCHEMBL18329838 0.80 MAPK1 (0.34) MAPK1HDAC6HDAC1HDAC2CA1
SCHEMBL21025722 0.79 ALDH1A1 (0.38) HDAC6HDAC1HDAC2CA1CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253296-B2 Acylated aminopropanediols and analogues and therapeutic uses thereof GENFIT (FR) 2007-08-07 US disclosed
US-20060154984-A1 Therapeutic use of acyl glycerols and the nitrogen- and sulphur- containing analogues thereof GENFIT (FR) 2006-07-13 US disclosed
US-20060069156-A1 Acylated aminopropanediols and analogues and therapeutic uses thereof GENFIT (FR) 2006-03-30 US disclosed
US-20060035977-A1 Uses of acylated aminopropanediols and sulphur and nitrogen analogues of same f GENTIF (FR) 2006-02-16 US disclosed
WO-2004074335-A1 NOVEL CATIONIC POLYMERS AND COPOLYMERS, USE THEREOF FOR THE VECTORISATION OF BIOMOLECULES AND SYNTHETIC INTERMEDIATES FOR THE SAME HALISOL (FR) 2004-09-02 WO disclosed
WO-2004074336-A1 NOVEL CATIONIC COPOLYMERS, USE THEREOF FOR THE VECTORISATION OF BIOMOLECULES AND SYNTHETIC INTERMEDIATES FOR THE SAME HALISOL (FR) 2004-09-02 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-20060069156-A1 Acylated aminopropanediols and analogues and therapeutic uses thereof AASDHPPT, ABAT, AADAC MAPK1 4540/4885HDAC6 263/4885HDAC1 1322/4885
US-20060035977-A1 Uses of acylated aminopropanediols and sulphur and nitrogen analogues of same f ASS1, SMURF1, SMURF2 MAPK1 3165/4885HDAC6 2391/4885HDAC1 1939/4885
US-20060154984-A1 Therapeutic use of acyl glycerols and the nitrogen- and sulphur- containing analogues thereof AGPAT5, HAGH, AGPAT2 MAPK1 4062/4885HDAC6 302/4885HDAC1 1318/4885

“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.