SCHEMBL564386

SCHEMBL564386

CCOC(=O)/C(C)=N/Nc1ccc(Oc2ccc(CS(C)(=O)=O)nc2)cc1OC1CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.34
P2RX3 P56373 4/20 0.34
P2RX2 Q9UBL9 4/20 0.34
GCK P35557 2/20 0.33
KDR P35968 1/20 0.32
MKNK2 Q9HBH9 2/20 0.32
BRD4 O60885 2/20 0.32
MRGPRX1 Q96LB2 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
KAT2B Q92831 1/20 0.32
GAA P10253 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
SCHEMBL15309093 0.91 GCK (0.35) PIK3CAP2RX3P2RX2GCKKDR
SCHEMBL15309094 0.91 GCK (0.35) PIK3CAP2RX3P2RX2GCKKDR
SCHEMBL564698 0.89 GPR119 (0.36) PIK3CAGCKMKNK2MKNK1KAT2B
SCHEMBL564417 0.89 MEN1 (0.35) PIK3CAP2RX3P2RX2GCKKDR
SCHEMBL564699 0.89 GPR119 (0.36) PIK3CAGCKMKNK2MKNK1KAT2B
SCHEMBL564372 0.86 MKNK1 (0.36) P2RX3P2RX2KDRMKNK2MKNK1
SCHEMBL564387 0.85 PDE4D (0.36) PIK3CAP2RX3P2RX2GCKKDR
SCHEMBL564741 0.83 GCK (0.38) P2RX3GCK
SCHEMBL15309098 0.80 HRH3 (0.36) PIK3CAP2RX3P2RX2GCKMKNK2
SCHEMBL15309099 0.80 HRH3 (0.36) PIK3CAP2RX3P2RX2GCKMKNK2

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 PIK3CA 875/4885P2RX3 2661/4885P2RX2 2746/4885

“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.