SCHEMBL4663077

SCHEMBL4663077

CC(C)(C)OC(=O)NC(CCc1ccccc1F)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.60
CTSS P25774 7/20 0.60
PTPN1 P18031 1/20 0.60
PPARA Q07869 5/20 0.50
PPARG P37231 4/20 0.50
SCN9A Q15858 3/20 0.49
ACE P12821 1/20 0.49
PPARD Q03181 2/20 0.48
IDO1 P14902 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46

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
SCHEMBL8238593 1.00 CTSK (0.60) CTSKCTSSPTPN1PPARAPPARG
SCHEMBL13743658 1.00 CTSK (0.60) CTSKCTSSPTPN1PPARAPPARG
SCHEMBL29401585 0.87 CTSS (0.73) CTSKCTSSPTPN1PPARAPPARG
SCHEMBL1270141 0.87 CTSS (0.73) CTSKCTSSPTPN1PPARAPPARG
SCHEMBL270318 0.87 CTSS (0.73) CTSKCTSSPTPN1PPARAPPARG
SCHEMBL270319 0.87 CTSS (0.73) CTSKCTSSPTPN1PPARAPPARG
SCHEMBL29907906 0.87 CTSS (0.73) CTSKCTSSPTPN1PPARAPPARG
SCHEMBL10151226 0.86 CTSK (0.56) CTSKCTSSPTPN1PPARAPPARG
SCHEMBL12305800 0.86 CTSK (0.56) CTSKCTSSPTPN1PPARAPPARG
SCHEMBL181807 0.85 CTSK (0.71) CTSKCTSSPPARAPPARGSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275086-A1 Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-11-06 US disclosed
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 US disclosed
US-20080064728-A1 Heterocyclic Compounds Useful as Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-03-13 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
EP-1858846-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2007-11-28 EP disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 EP disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
EP-1791536-A1 1-[(3R)-AMINO-4-(2-FLUORO-PHENYL)-BUTYL]-PYRROLIDINE-(2R)-CARBOXYLIC ACID-BENZYL AMINE DERIVATIVES AND RELATED COMPOUNDS AS DIPEPTIDYL-PEPTIDASE IV (DPP-IV) INHIBITORS FOR THE TREATMENT OF TYPE 2 DIABETES MELLITUS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-06-06 EP disclosed
EP-1786806-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-05-23 EP disclosed
EP-1702916-A1 DPP-IV inhibitors Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2006-09-20 EP disclosed
EP-1623983-A1 Heterocyclic compounds useful as DPP-IV inhibitors Santhera Pharmaceuticals (Deutschland) Aktiengesellschaft (DE) 2006-02-08 EP disclosed
EP-1613304-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2006-01-11 EP disclosed
WO-2005121131-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 WO disclosed
WO-2005120494-A1 1-`(3R)-AMINO-4-(2-FLUORO-PHENYL)-BUTYL !-PYRROLIDINE-(2R)-CARBOXILIC ACID-BENZYL AMINE DERIVATIVES AND RELATED COMPOUNDS AS DIPEPTIDYL-PEPTIDASE IV (DPP-IV) INHIBITORS FOR THE TREATMENT OF TYPE 2 DIABETES MELLITUS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 WO disclosed
EP-1604662-A1 1-[(3R)-Amino-4-(2-fluoro-phenyl)-butyl]-pyrrolidine-(2R)-carboxylic acid benzyl amine derivatives and related compounds as dipeptidyl peptidase IV (DPP-IV) inhibitors for the treatment of type 2 diabetes mellitus Santhera Pharmaceuticals (Deutschland) Aktiengesellschaft (DE) 2005-12-14 EP disclosed
EP-1593671-A1 DPP-IV inhibitors Graffinity Pharmaceuticals AG (DE) 2005-11-09 EP disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 WO disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed
EP-1541143-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2005-06-15 EP 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 (6 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 CTSK 426/4885CTSS 505/4885PTPN1 369/4885
US-20080064728-A1 Heterocyclic Compounds Useful as Dpp-Iv Inhibitors DPP4, DPP7, DPP3 CTSK 317/4885CTSS 297/4885PTPN1 1029/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 CTSK 185/4885CTSS 261/4885PTPN1 407/4885
US-20080015146-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP3 CTSK 361/4885CTSS 550/4885PTPN1 252/4885
US-20080275086-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 CTSK 124/4885CTSS 271/4885PTPN1 335/4885
US-20080176838-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP7 CTSK 786/4885CTSS 1262/4885PTPN1 228/4885

“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.