SCHEMBL4665019

SCHEMBL4665019

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.39
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CTSS P25774 3/20 0.35
CTSK P43235 1/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
EPHX2 P34913 1/20 0.34
SCN9A Q15858 1/20 0.34
GUCY1B2 O75343 2/20 0.33
GUCY1A2 P33402 2/20 0.33
GUCY1A1 Q02108 2/20 0.33
GUCY1B1 Q02153 2/20 0.33
AAK1 Q2M2I8 1/20 0.33
PTPN1 P18031 1/20 0.33
IDO1 P14902 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL18683051 0.84 LMNA (0.40) AKT1LMNAPOLBCTSSCTSK
SCHEMBL21677304 0.84 LMNA (0.40) AKT1LMNAPOLBCTSSCTSK
SCHEMBL21677273 0.81 NLRP3 (0.42) AKT1LMNAPOLBCTSSCTSK
SCHEMBL4665018 0.79 LMNA (0.39) AKT1LMNAPOLBCTSSCTSK
SCHEMBL18762501 0.72 CA12 (0.34) AKT1JAK3BTKCTSSCTSK
SCHEMBL18683500 0.71 LMNA (0.39) AKT1LMNAPOLBCTSSCTSK
SCHEMBL18683050 0.70 LMNA (0.38) AKT1LMNAPOLBCTSSCTSK
SCHEMBL4665020 0.70 CTSS (0.52) JAK3BTKCTSSCTSKSCN9A
SCHEMBL8272558 0.70 CTSS (0.52) JAK3BTKCTSSCTSKSCN9A
SCHEMBL21677169 0.69 CTSS (0.39) AKT1LMNAPOLBCTSSCTSK

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 4 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
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO 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 AKT1 2752/4885JAK3 2033/4885BTK 2606/4885

“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.