SCHEMBL4663329

SCHEMBL4663329

CC(C[C@@H](Cc1ccccc1F)NC(=O)OC(C)(C)C)N1CCC[C@H]1C(N)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.41
SCN9A Q15858 10/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
SCN3A Q9NY46 1/20 0.40
DPP4 P27487 4/20 0.39
POLB P06746 1/20 0.38
PTPN1 P18031 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL4663330 0.85 DPP4 (0.43) GPR119SCN9ACTSSCTSKSCN3A
SCHEMBL6444465 0.85 SCN9A (0.44) GPR119SCN9ACTSSCTSKDPP4
SCHEMBL4955095 0.73 DPP4 (0.51) SCN9ACTSSCTSKDPP4DPP8
SCHEMBL8289111 0.73 DPP4 (0.51) SCN9ACTSSCTSKDPP4DPP8
SCHEMBL6444466 0.72 DPP4 (0.48) SCN9ACTSSCTSKDPP4DPP8
SCHEMBL14421765 0.71 KLK5 (0.48) SCN9ACTSSCTSKDPP4DPP8
SCHEMBL4915475 0.71 CTSS (0.53) SCN9ACTSSCTSKPTPN1
SCHEMBL4915481 0.71 CTSS (0.53) SCN9ACTSSCTSKPTPN1
SCHEMBL4915478 0.71 CTSS (0.53) SCN9ACTSSCTSKPTPN1
SCHEMBL4917131 0.70 CTSS (0.55) SCN9ACTSSCTSKPTPN1

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 2 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
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 (1 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-20080176838-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP7 GPR119 7/4885SCN9A 110/4885CTSS 1262/4885

“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.