SCHEMBL4664829

SCHEMBL4664829

CC(C)(C)OC(=O)NC(CC=O)Cc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.56
CTSK P43235 4/20 0.56
ATM Q13315 1/20 0.49
PTPN1 P18031 1/20 0.47
SCN9A Q15858 12/20 0.46
AAK1 Q2M2I8 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.40
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
SCHEMBL4664825 1.00 CTSS (0.56) CTSSCTSKATMPTPN1SCN9A
SCHEMBL4922943 0.86 CTSS (0.60) CTSSCTSKATMPTPN1SCN9A
SCHEMBL4922934 0.86 CTSS (0.60) CTSSCTSKATMPTPN1SCN9A
SCHEMBL7029037 0.86 CTSS (0.60) CTSSCTSKATMPTPN1SCN9A
SCHEMBL17015 0.84 CTSS (0.60) CTSSCTSKATMPTPN1SCN9A
SCHEMBL4896150 0.84 CTSS (0.60) CTSSCTSKATMPTPN1SCN9A
SCHEMBL3997764 0.84 CTSS (0.60) CTSSCTSKATMPTPN1SCN9A
SCHEMBL4663069 0.84 CTSS (0.57) CTSSCTSKATMPTPN1SCN9A
SCHEMBL3139804 0.84 AAK1 (0.43) CTSSCTSKATMPTPN1AAK1
SCHEMBL30753714 0.84 CTSS (0.60) CTSSCTSKATMPTPN1SCN9A

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 3 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
CN-101001841-A Tetrahydroquinolones and aza-analogues thereof useful as DPP-IV inhibitors for the treatment of diabetes ASTRAZENECA AB (SE) 2007-07-18 CN 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 CTSS 1262/4885CTSK 786/4885ATM 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.