SCHEMBL5238784

SCHEMBL5238784

CC(C)Cn1c(N(C)C(=O)O)c(-c2cccs2)c2cc(OCc3ccccc3)ccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.44
EDNRA P25101 1/20 0.41
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
ACHE P22303 2/20 0.37
MAOB P27338 2/20 0.37
BCHE P06276 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAOA P21397 1/20 0.37
PTGES O14684 1/20 0.37

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
SCHEMBL27599139 0.90 DPP4 (0.41) DPP4EDNRATNKS2PARP2
SCHEMBL5232555 0.88 DPP4 (0.56) DPP4
SCHEMBL5236141 0.88 DPP4 (0.54) DPP4
SCHEMBL5238155 0.86 DPP4 (0.47) DPP4EDNRATNKS2PARP2
SCHEMBL5240737 0.86 DPP4 (0.49) DPP4
SCHEMBL27599237 0.86 DPP4 (0.41) DPP4EDNRATNKS2PARP2CYP3A4
SCHEMBL5233733 0.84 DPP4 (0.54) DPP4EDNRA
SCHEMBL5233942 0.84 DPP4 (0.49) DPP4EDNRATNKS2PARP2CYP3A4
SCHEMBL5238084 0.84 DPP4 (0.55) DPP4
SCHEMBL5235747 0.84 DPP4 (0.38) 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 2 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-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 US 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 2/4885EDNRA 948/4885TNKS2 4519/4885

“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.