SCHEMBL2713441

SCHEMBL2713441

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CA14 Q9ULX7 2/20 0.35
CTSK P43235 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4C Q9H3R0 2/20 0.32
KDM4A O75164 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
BLM P54132 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
CA7 P43166 1/20 0.30
NOS1 P29475 2/20 0.30
NOS3 P29474 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
SCHEMBL14976012 0.85 CA14 (0.37) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL8616170 0.82 NOS2 (0.46) MEN1GAAKMT2ANOS1NOS3
SCHEMBL854273 0.82 HDAC6 (0.35) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL14651989 0.81 CTSK (0.42) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL8310669 0.80 CA14 (0.41) HDAC6HDAC1HDAC2CA14CA1
SCHEMBL6024664 0.80 CA1 (0.38) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL1884648 0.79 CA14 (0.40) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL27942277 0.79 HDAC6 (0.37) HDAC6HDAC1HDAC2CA14CA1
SCHEMBL27885574 0.78 CTSK (0.32) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL22199322 0.78 CA14 (0.43) HDAC6HDAC1HDAC2CA14CTSK

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-10112928-B2 Inhibitors of SYK HOFFMANN-LA ROCHE INC. (US) 2018-10-30 US disclosed
US-9902688-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2018-02-27 US disclosed
EP-3176154-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2017-06-07 EP disclosed
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS ALEXION PHARMACEUTICALS, INC. 2016-11-03 US disclosed
CN-105683196-A Aryl ether based kinase inhibitors 百时美施贵宝公司 2016-06-15 CN disclosed
US-9359375-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
US-20150284367-A1 INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-10-08 US disclosed
EP-2909174-A1 INHIBITORS OF SYK F. Hoffmann-La Roche AG (CH) 2015-08-26 EP disclosed
US-20150038492-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8846928-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
WO-2014060371-A1 INHIBITORS OF SYK F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 WO disclosed
EP-2635556-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 EP disclosed
US-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
WO-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed
CN-1976706-B FGFR3 inhibition and treatment of multiple myeloma NOVARTIS VACCINES & DIAGNOSTIC 2012-01-18 CN disclosed
CN-1976706-A FGFR3 inhibition and treatment of multiple myeloma CHIRON CORP (US) 2007-06-06 CN 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 (5 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-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK HDAC6 138/4885HDAC1 215/4885HDAC2 148/4885
US-20150284367-A1 INHIBITORS OF SYK SYK, BTK, LYN HDAC6 1050/4885HDAC1 1765/4885HDAC2 1704/4885
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK HDAC6 138/4885HDAC1 215/4885HDAC2 148/4885
US-10112928-B2 Inhibitors of SYK SYK, BTK, LYN HDAC6 1050/4885HDAC1 1765/4885HDAC2 1704/4885
US-20150038492-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK HDAC6 138/4885HDAC1 215/4885HDAC2 148/4885

“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.