SCHEMBL646682

SCHEMBL646682

C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CA14 Q9ULX7 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
USP30 Q70CQ3 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL22539244 0.85 MEN1 (0.31) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL5891882 0.85 CA14 (0.36) MEN1GAAKMT2ACA14HDAC6
SCHEMBL19492022 0.83 USP30 (0.35) CA14HDAC6HDAC1HDAC2USP30
SCHEMBL20811333 0.82 MEN1 (0.32) MEN1GAAKMT2ACA14HDAC6
SCHEMBL22221412 0.82 MEN1 (0.32) MEN1GAAKMT2ACA14HDAC6
SCHEMBL5204515 0.81 CA14 (0.39) CA14HDAC6HDAC1HDAC2CA1
SCHEMBL30279497 0.79 MEN1 (0.30) MEN1GAAKMT2A
SCHEMBL9019269 0.79 HDAC6 (0.33) CA14HDAC6HDAC1HDAC2USP30
SCHEMBL11106058 0.79 MEN1 (0.34) MEN1GAAKMT2ACA14HDAC6
SCHEMBL29463474 0.79 MEN1 (0.34) MEN1GAAKMT2ACA14HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637546-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DDP-IV) ABBVIE INC. (US) 2014-01-28 US disclosed
US-20130059873-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC. 2013-03-07 US disclosed
US-8119664-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
US-20100190822-A1 Pharmaceutical Compositions As Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-07-29 US disclosed
EP-1560811-B9 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LAB (US) 2008-03-05 EP disclosed
US-20070265302-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) MADAR DAVID J 2007-11-15 US disclosed
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) MADAR DAVID J 2007-10-11 US disclosed
US-7262207-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-08-28 US disclosed
EP-1560811-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LAB (US) 2007-08-01 EP disclosed
US-7144899-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-12-05 US disclosed
US-20040157828-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-08-12 US disclosed
US-20040121964-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES 2004-06-24 US disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 US disclosed
WO-2004026822-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2004-04-01 WO disclosed
EP-1401453-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
US-20030149049-A1 Small-molecule inhibitors of interleukin-2 SUNESIS PHARMACEUTICALS, INC. 2003-08-07 US disclosed
WO-2003051797-A2 SMALL-MOLECULE INHIBITORS OF INTERLEUKIN-2 SUNESIS PHARMACEUTICALS, INC. (US) 2003-06-26 WO disclosed
WO-2002092563-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-11-21 WO disclosed
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO disclosed
US-5128448-A Peptide hormones HOFFMAN-LA ROCHE INC. (US) 1992-07-07 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 (8 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-20130059873-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 MEN1 3576/4885GAA 131/4885KMT2A 3404/4885
US-20070265302-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 MEN1 3576/4885GAA 131/4885KMT2A 3404/4885
US-20040121964-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 MEN1 3576/4885GAA 131/4885KMT2A 3404/4885
US-20100190822-A1 Pharmaceutical Compositions As Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 MEN1 3576/4885GAA 131/4885KMT2A 3404/4885
US-20030149049-A1 Small-molecule inhibitors of interleukin-2 IL2, IL2RA, HLA-DRB1 MEN1 3793/4885GAA 4050/4885KMT2A 2962/4885
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 MEN1 3547/4885GAA 133/4885KMT2A 3383/4885
US-20040073025-A1 Thrombin inhibitors F2, F11, F10 MEN1 494/4885GAA 4576/4885KMT2A 3124/4885
US-20040157828-A1 Protease inhibitors CTSK, MMP13, CTSZ MEN1 2054/4885GAA 71/4885KMT2A 2920/4885

“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.