SCHEMBL5236356

SCHEMBL5236356

CCCCOc1c(CNC(=O)O)n(CC(C)C)c(=O)c2ccc(-c3nc(C)cs3)cc12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.41
DPP4 P27487 4/20 0.38
KDR P35968 1/20 0.37
SHMT2 P34897 1/20 0.36
PPARA Q07869 1/20 0.36
PDE5A O76074 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5236088 0.91 DPP4 (0.36) TGFBR1DPP4MEN1KMT2A
SCHEMBL5234421 0.91 DPP4 (0.39) DPP4
Hydrochloric Acid SCHEMBL5231815 0.86 DPP4 (0.43) DPP4PDE5A
SCHEMBL5237726 0.85 DPP4 (0.36) TGFBR1DPP4PPARAPDE5AMEN1
SCHEMBL5237311 0.84 DPP4 (0.46) DPP4
SCHEMBL5234400 0.84 DPP4 (0.39) DPP4PPARAMEN1KMT2A
SCHEMBL5236363 0.84 PDE5A (0.35) TGFBR1DPP4SHMT2PPARAPDE5A
SCHEMBL5240636 0.83 XDH (0.37) DPP4
SCHEMBL5237560 0.83 GAA (0.39) DPP4
SCHEMBL5231544 0.83 SREBF2 (0.39) TGFBR1DPP4

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 TGFBR1 509/4885DPP4 2/4885KDR 3929/4885

“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.