SCHEMBL4922505

SCHEMBL4922505

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
PTGS2 P35354 1/20 0.34
KCNN4 O15554 3/20 0.33
RBP4 P02753 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 2/20 0.31
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
SSTR4 P31391 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL3786557 0.72 CYP2C19 (0.47) KCNN4SMN1; SMN2HDAC6HDAC3HDAC1
SCHEMBL3786485 0.66 ALDH1A1 (0.32) NPSR1KCNN4SMN1; SMN2HDAC6HDAC3
SCHEMBL6472352 0.66 ALDH1A1 (0.32) NPSR1KCNN4SMN1; SMN2HDAC6HDAC3
SCHEMBL8359862 0.66 KCNN4 (0.41) PTGS2KCNN4SMN1; SMN2ALDH1A1MEN1
SCHEMBL27846267 0.66 KCNN4 (0.38) NPSR1PTGS2KCNN4SMN1; SMN2HDAC6
SCHEMBL7129611 0.64 L3MBTL1 (0.43) KCNN4SMN1; SMN2CTSSCTSKALDH1A1
SCHEMBL27992415 0.62 HDAC6 (0.38) KCNN4SMN1; SMN2HDAC6HDAC3HDAC1
SCHEMBL5497723 0.62 NAALAD2 (0.44) HDAC3HDAC1HDAC2ALDH1A1MEN1
SCHEMBL8784381 0.62 KCNN4 (0.40) KCNN4SMN1; SMN2HDAC6HDAC3HDAC1
SCHEMBL265970 0.62 MEN1 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2A

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-20080275086-A1 Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-11-06 US disclosed
EP-1858846-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2007-11-28 EP disclosed
WO-2006097175-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2006-09-21 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-20080275086-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 NPSR1 820/4885PTGS2 4312/4885KCNN4 1187/4885

“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.