SCHEMBL5237348

SCHEMBL5237348

CC(C)Cn1c(C(=O)OC(C)(C)C)c(OS(=O)(=O)C(F)(F)F)c2cc(OCc3ccccc3)ccc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.40
HRH3 Q9Y5N1 2/20 0.38
EDNRA P25101 1/20 0.37
PDE5A O76074 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
MAPK8 P45983 1/20 0.36
GHSR Q92847 3/20 0.36
S1PR3 Q99500 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL5234705 0.92 MAPK8 (0.44) DPP4HRH3EDNRAPDE5APDE4A
SCHEMBL5235307 0.87 NMT1 (0.42) DPP4
SCHEMBL5236803 0.85 DPP4 (0.44) DPP4HRH3EDNRAPDE5APDE4A
SCHEMBL5235743 0.84 MAPK8 (0.53) DPP4MAPK8
SCHEMBL5240152 0.83 DPP4 (0.44) DPP4HRH3EDNRAPDE5APDE4A
SCHEMBL5238283 0.76 NMT1 (0.42) DPP4
SCHEMBL5239247 0.76 DPP4 (0.42) DPP4HRH3EDNRAAR
SCHEMBL27599395 0.75 DPP4 (0.48) DPP4HRH3EDNRAPDE5APDE4A
SCHEMBL5235849 0.75 MAPK8 (0.50) DPP4EDNRAPDE5APDE4APDE4B
SCHEMBL7003543 0.75 SMN1; SMN2 (0.49) DPP4

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 US disclosed
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 DPP4 2/4885HRH3 764/4885EDNRA 948/4885

“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.