SCHEMBL5239382

SCHEMBL5239382

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.36
MGLL Q99685 2/20 0.35
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TBXA2R P21731 7/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
PPARA Q07869 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
CNR1 P21554 1/20 0.32
ADORA2A P29274 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
SCHEMBL5237702 0.88 DPP4 (0.49) DPP4MGLLPKMMAPK1SMN1; SMN2
SCHEMBL5275959 0.88 RORA (0.37) DPP4SMN1; SMN2TSHRHSD17B10
SCHEMBL5231048 0.88 TSHR (0.36) DPP4SMN1; SMN2TSHRHSD17B10PPARA
SCHEMBL5236611 0.88 MAPK8 (0.34) DPP4MAPK1SMN1; SMN2TSHRHSD17B10
SCHEMBL5230679 0.87 DPP4 (0.36) DPP4TSHRHSD17B10PPARACNR1
SCHEMBL5237350 0.87 RORA (0.37) DPP4TSHRHSD17B10CNR1
SCHEMBL5238703 0.86 LMNA (0.39) DPP4SMN1; SMN2
SCHEMBL5232805 0.86 PTGDR2 (0.38) DPP4RXFP1TSHRHSD17B10
SCHEMBL5231638 0.86 TSHR (0.37) DPP4PKMSMN1; SMN2TSHRHSD17B10
SCHEMBL5231951 0.86 POLB (0.34) DPP4MAPK1SMN1; SMN2TSHRHSD17B10

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 2/4885MGLL 2379/4885PKM 4003/4885

“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.