SCHEMBL4663069

SCHEMBL4663069

CC(=O)C[C@@H](Cc1ccccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.57
CTSK P43235 4/20 0.57
PTPN1 P18031 1/20 0.48
ATM Q13315 1/20 0.47
SCN9A Q15858 12/20 0.47
AAK1 Q2M2I8 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL3997764 0.90 CTSS (0.60) CTSSCTSKPTPN1ATMSCN9A
SCHEMBL17015 0.90 CTSS (0.60) CTSSCTSKPTPN1ATMSCN9A
SCHEMBL4896150 0.90 CTSS (0.60) CTSSCTSKPTPN1ATMSCN9A
SCHEMBL30753714 0.90 CTSS (0.60) CTSSCTSKPTPN1ATMSCN9A
SCHEMBL4922943 0.87 CTSS (0.60) CTSSCTSKPTPN1ATMSCN9A
SCHEMBL4922934 0.87 CTSS (0.60) CTSSCTSKPTPN1ATMSCN9A
SCHEMBL7029037 0.87 CTSS (0.60) CTSSCTSKPTPN1ATMSCN9A
SCHEMBL890178 0.87 CTSS (0.42) CTSSCTSK
SCHEMBL5796611 0.84 CTSS (0.54) CTSSCTSKPTPN1ATMSCN9A
SCHEMBL5796601 0.84 CTSS (0.54) CTSSCTSKPTPN1ATMSCN9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 US disclosed
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 US disclosed
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 US disclosed
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20080015146-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP3 CTSS 550/4885CTSK 361/4885PTPN1 252/4885
US-20080176838-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP7 CTSS 1262/4885CTSK 786/4885PTPN1 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.