SCHEMBL564387

SCHEMBL564387

CCCC(=NNc1ccc(Oc2ccc(CS(C)(=O)=O)nc2)cc1OC1CCOCC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.36
PDE4A P27815 6/20 0.36
PDE4B Q07343 6/20 0.36
PDE4C Q08493 6/20 0.36
PIK3CA P42336 5/20 0.34
KDR P35968 1/20 0.34
GCK P35557 2/20 0.34
KAT2B Q92831 1/20 0.33
BTK Q06187 1/20 0.33
P2RX3 P56373 2/20 0.32
P2RX2 Q9UBL9 2/20 0.32

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
SCHEMBL564460 0.90 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CPIK3CA
SCHEMBL15309094 0.90 GCK (0.35) PIK3CAKDRGCKKAT2BBTK
SCHEMBL15309093 0.90 GCK (0.35) PIK3CAKDRGCKKAT2BBTK
SCHEMBL564373 0.87 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CKDR
SCHEMBL564386 0.85 PIK3CA (0.34) PIK3CAKDRGCKKAT2BP2RX3
SCHEMBL564742 0.84 GCK (0.38) PDE4DPDE4APDE4BPDE4CGCK
SCHEMBL15309099 0.79 HRH3 (0.36) PDE4DPDE4APDE4BPDE4CPIK3CA
SCHEMBL15309098 0.79 HRH3 (0.36) PDE4DPDE4APDE4BPDE4CPIK3CA
SCHEMBL564669 0.78 BRD4 (0.38) PDE4DPDE4APDE4BPDE4CPIK3CA
SCHEMBL15309159 0.75 MKNK1 (0.36) PDE4DPDE4APDE4BPDE4CKAT2B

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
US-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US disclosed
EP-2371826-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-10-05 EP 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-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF GPR119, GCKR, SLC5A1 PDE4D 1302/4885PDE4A 955/4885PDE4B 673/4885

“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.