SCHEMBL594528

SCHEMBL594528

CC(=O)OCCOc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.50
HDAC1 Q13547 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CA12 O43570 5/20 0.49
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA9 Q16790 5/20 0.49
ALDH1A1 P00352 1/20 0.45
NAMPT P43490 2/20 0.45
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL23462113 0.86 L3MBTL1 (0.54) FAAHHDAC1L3MBTL1CA12CA1
SCHEMBL595225 0.85 CA12 (0.52) FAAHHDAC1L3MBTL1CA12CA1
SCHEMBL10227120 0.85 FAAH (0.64) FAAHHDAC1L3MBTL1CA12CA1
SCHEMBL23884201 0.84 HDAC1 (0.56) FAAHHDAC1L3MBTL1CA12CA1
SCHEMBL21100866 0.83 HDAC1 (0.48) FAAHHDAC1L3MBTL1CA12CA1
SCHEMBL30670755 0.83 L3MBTL1 (0.51) FAAHHDAC1L3MBTL1CA12CA1
SCHEMBL11904717 0.83 ALDH1A1 (0.52) FAAHHDAC1L3MBTL1CA12CA1
SCHEMBL21100941 0.82 HDAC1 (0.53) FAAHHDAC1L3MBTL1CA12CA1
SCHEMBL17919156 0.82 HDAC1 (0.53) FAAHHDAC1L3MBTL1CA12CA1
SCHEMBL7551243 0.82 L3MBTL1 (0.51) FAAHHDAC1L3MBTL1CA1CA2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
EP-2376085-B1 COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-02-26 EP disclosed
EP-2376085-B1 COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-02-26 EP disclosed
US-20140005190-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-01-02 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
EP-2376085-A1 COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-19 EP disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
WO-2010080478-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 WO disclosed
WO-2010080478-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 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-20140005190-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX FAAH 4383/4885HDAC1 3791/4885L3MBTL1 1483/4885
US-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX FAAH 4383/4885HDAC1 3791/4885L3MBTL1 1483/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX FAAH 4383/4885HDAC1 3791/4885L3MBTL1 1483/4885

“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.