SCHEMBL4663082

SCHEMBL4663082

CC(C)(C)OC(=O)NC(CCC(=O)O)c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.47
CTSS P25774 5/20 0.47
ATM Q13315 1/20 0.43
ACE P12821 1/20 0.42
PTPN1 P18031 1/20 0.41
SCN9A Q15858 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL1157183 0.88 CTSA (0.50) CTSKCTSS
SCHEMBL17841293 0.88 CTSA (0.50) CTSKCTSS
SCHEMBL10216947 0.88 CTSK (0.46) CTSKCTSSATMPTPN1SCN9A
SCHEMBL25445027 0.85 CTSS (0.47) CTSKCTSSATMPTPN1CTSL
SCHEMBL29770841 0.85 CTSS (0.47) CTSKCTSSATMPTPN1CTSL
SCHEMBL1682754 0.83 CTSS (0.38) CTSKCTSSATMACEPTPN1
SCHEMBL27779297 0.83 CTSS (0.38) CTSKCTSSATMACEPTPN1
SCHEMBL25445088 0.83 CTSS (0.46) CTSKCTSSATMPTPN1CTSL
SCHEMBL4583120 0.82 CTSK (0.53) CTSKCTSSATMACECTSL
SCHEMBL3447675 0.82 CTSS (0.45) CTSKCTSSATMMAPT

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 505/4885ATM 4787/4885
US-20080064728-A1 Heterocyclic Compounds Useful as Dpp-Iv Inhibitors DPP4, DPP7, DPP3 CTSK 317/4885CTSS 297/4885ATM 4770/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 CTSK 185/4885CTSS 261/4885ATM 4757/4885
US-20080015146-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP3 CTSK 361/4885CTSS 550/4885ATM 4682/4885
US-20080275086-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 CTSK 124/4885CTSS 271/4885ATM 4662/4885
US-20080176838-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP7 CTSK 786/4885CTSS 1262/4885ATM 4683/4885

“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.