SCHEMBL5235231

SCHEMBL5235231

CCCCOc1c(CNC(=O)O)n(CC(C)(C)C)c(=O)c2ccc(CCC(N)=O)cc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.43
MAPK8 P45983 1/20 0.37
PLA2G2A P14555 3/20 0.33
S1PR3 Q99500 2/20 0.32
CNR2 P34972 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
LMNA P02545 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL5234970 0.91 DPP4 (0.35) DPP4MAPK8PLA2G2AS1PR3LMNA
SCHEMBL6701413 0.88 PGR (0.40) DPP4MAPK8S1PR3CNR2LMNA
Hydrochloric Acid SCHEMBL5239932 0.88 DPP4 (0.51) DPP4MAPK8CNR2
SCHEMBL5230679 0.86 DPP4 (0.36) DPP4MAPK8CNR2LMNAKDM4E
SCHEMBL5275959 0.85 RORA (0.37) DPP4MAPK8KDM4ESMN1; SMN2
SCHEMBL5231048 0.85 TSHR (0.36) DPP4PLA2G2AS1PR3KDM4ESMN1; SMN2
SCHEMBL5236611 0.85 MAPK8 (0.34) DPP4MAPK8S1PR3CNR2LMNA
SCHEMBL6110129 0.85 DPP4 (0.42) DPP4MAPK8PLA2G2AS1PR3S1PR4
SCHEMBL5233633 0.85 MAPK8 (0.36) DPP4MAPK8S1PR3S1PR4S1PR1
SCHEMBL5237350 0.85 RORA (0.37) DPP4CNR2LMNAKDM4EMAPT

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
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

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 2/4885MAPK8 2612/4885PLA2G2A 3137/4885

“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.